Geometry & MOs

Info

ID:	322338
PubChem CID:	126669828
Reduced:	FN6H27C30 (1)
Stoich.:	AB6C27D30 (1)
Weight, g/mol:	466.284495
ΔH_f, kcal/mol:	157.35
Dipole, Da:	3.83
IP(EA), eV:	-8.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N'-[(5Z,7Z)-6-methyl-10-phenyl-1-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]deca-5,7-dien-1,3-diyn-5-yl]pyrrolidine-2-carboximidamide

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

C1C[C@H](NC1)C2=NC=C(N2)C#CC#CC3=C(C=C(C=C3F)C4=CN=C(N4)[C@@H]5CCCN5)C6=CC=CC=C6

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

C1C[C@H](NC1)C2=NC=C(N2)C#CC#CC3=C(C=C(C=C3F)C4=CN=C(N4)[C@@H]5CCCN5)C6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):