Geometry & MOs

Info

ID:

181645

PubChem CID:

76769014

Reduced:

O4N7C35H35 (1)

Stoich.:

A4B7C35D35 (1)

Weight, g/mol:

504.300145

ΔHf, kcal/mol:

-39.43

Dipole, Da:

11.21

IP(EA), eV:

 -8.69(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-ethylpyrrolidin-2-yl)-6-[4-[2-(5-ethylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCC(=O)C2)C3=NC4=C(N3)C=C(C=C4)C#CC5=CC6=C(C=C5)N=C(N6)C7CCCN7C(=O)C8CCC(=O)N8

DOS

IR

Vibrations