Geometry & MOs

Info

ID:

189923

PubChem CID:

77923507

Reduced:

ClON6C35H41 (1)

Stoich.:

ABC6D35E41 (1)

Weight, g/mol:

661.435576

ΔHf, kcal/mol:

38.58

Dipole, Da:

6.5

IP(EA), eV:

 -8.89(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCN2C3CC4C(CC3N=C2C5=CC=C(C=C5)C6=CC=NC=C6)NC(=O)C(N4)CC7=CC=C(C=C7)Cl

DOS

IR

Vibrations