Geometry & MOs

Info

ID:

189922

PubChem CID:

77923506

Reduced:

ON6C34H40 (1)

Stoich.:

AB6C34D40 (1)

Weight, g/mol:

596.303038

ΔHf, kcal/mol:

60.52

Dipole, Da:

5.66

IP(EA), eV:

 -8.93(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-4,4a,5,7,8,8a,9,9a-octahydro-3aH-imidazo[4,5-g]quinoxalin-6-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCN2C3CC4C(CC3N=C2C5=CC=C(C=C5)C6=CC=NC=C6)NC(=O)C(N4)C7=CC=CC=C7

DOS

IR

Vibrations