Geometry & MOs

Info

ID:	385024
PubChem CID:	134978166
Reduced:	NO2C28H35 (1)
Stoich.:	AB2C28D35 (1)
Weight, g/mol:	470.33961
ΔH_f, kcal/mol:	-23.5
Dipole, Da:	4.4
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,5R)-5-methyl-2-propylcyclohexyl] (1S,2R,3Z,4R)-3-[2-[(1R,2R,5R)-5-methyl-2-propylcyclohexyl]oxy-2-oxoethylidene]bicyclo[2.2.1]hept-5-ene-2-carboxylate

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

CC1(C(=C=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=NC1(C)C)C(C)(C)C)C

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

CC1(C(=C=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=NC1(C)C)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):