Geometry & MOs

Info

ID:	189917
PubChem CID:	77923058
Reduced:	OSN7C18H21 (1)
Stoich.:	ABC7D18E21 (1)
Weight, g/mol:	614.394439
ΔH_f, kcal/mol:	123.81
Dipole, Da:	6.75
IP(EA), eV:	-8.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1-(3-piperidin-1-ylpropyl)-4,4a,5,7,8,8a,9,9a-octahydro-3aH-imidazo[4,5-g]quinoxalin-6-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C3=NC=C(S3)N)NC4=C5C=CNC5=NC=C4C(=O)N

DOS

IR

Vibrations