Geometry & MOs

Info

ID:

189919

PubChem CID:

77923503

Reduced:

FOSN6C33H39 (1)

Stoich.:

ABCD6E33F39 (1)

Weight, g/mol:

610.34201

ΔHf, kcal/mol:

7.73

Dipole, Da:

7.3

IP(EA), eV:

 -8.87(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-benzyl-1-(1-benzylpiperidin-4-yl)-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(CC1)CCCN2C3CC4C(CC3N=C2C5=CC=C(S5)C6=CC=NC=C6)NC(=O)C(N4)CC7=CC=C(C=C7)F

DOS

IR

Vibrations