Geometry & MOs

Info

ID:	449139
PubChem CID:	135296281
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	626.477106
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	6.27
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N,2,5-trimethyl-N'-[1,2,2,5-tetramethyl-4-(2-methylprop-2-enoylamino)cyclohexyl]-N-[2,4,4-trimethyl-6-[methyl(2-methylprop-2-enoyl)amino]hexyl]hexa-2,4-dienediamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)C3=NC4=C(N3[C@H]2C5=CC=CC=C5)C=C(C=C4)C6=CN=C(C=C6)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)C3=NC4=C(N3[C@H]2C5=CC=CC=C5)C=C(C=C4)C6=CN=C(C=C6)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):