Geometry & MOs

Info

ID:	141243
PubChem CID:	52845834
Reduced:	O2N4C25H33 (1)
Stoich.:	A2B4C25D33 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.165723
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-oxo-N-propyl-2,4-dihydroquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N(CC(=O)N4)C

DOS

IR

Vibrations