Geometry & MOs

Info

ID:

189921

PubChem CID:

77923505

Reduced:

O3N5C38H45 (1)

Stoich.:

A3B5C38D45 (1)

Weight, g/mol:

548.32636

ΔHf, kcal/mol:

-55.49

Dipole, Da:

8.28

IP(EA), eV:

 -8.73(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-2-(4-pyridin-4-ylphenyl)-1-(4-pyrrolidin-1-ylbutyl)-4,4a,5,7,8,8a,9,9a-octahydro-3aH-imidazo[4,5-g]quinoxalin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC4CC5C(CC4N3CCN6CCCC6=O)NC(C(=O)N5)CC7=CC=CC=C7

DOS

IR

Vibrations