Geometry & MOs

Info

ID:

189920

PubChem CID:

77923504

Reduced:

ON6C39H42 (1)

Stoich.:

AB6C39D42 (1)

Weight, g/mol:

619.35224

ΔHf, kcal/mol:

92.31

Dipole, Da:

4.02

IP(EA), eV:

 -8.96(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-benzyl-2-[3-(4-tert-butylphenoxy)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4,4a,5,7,8,8a,9,9a-octahydro-3aH-imidazo[4,5-g]quinoxalin-6-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3CC4C(CC3N=C2C5=CC=C(C=C5)C6=CC=NC=C6)NC(=O)C(N4)CC7=CC=CC=C7)CC8=CC=CC=C8

DOS

IR

Vibrations