Geometry & MOs

Info

ID:

189918

PubChem CID:

77923502

Reduced:

O3N6C36H50 (1)

Stoich.:

A3B6C36D50 (1)

Weight, g/mol:

586.289009

ΔHf, kcal/mol:

-69.63

Dipole, Da:

7.91

IP(EA), eV:

 -8.82(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(4-fluorophenyl)methyl]-1-(3-piperidin-1-ylpropyl)-2-(5-pyridin-4-ylthiophen-2-yl)-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)OCCN6CCOCC6)NC(=O)C(N4)CC7=CC=CC=C7

DOS

IR

Vibrations