Geometry & MOs

Info

ID:	141241
PubChem CID:	52845829
Reduced:	OSN6C21H30 (1)
Stoich.:	ABC6D21E30 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	62.88
Dipole, Da:	5.6
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN([C@@H]1CCCN(C1)CC2=CC=CC=C2)C(=O)CSC3=NN=NN3C4CC4

DOS

IR

Vibrations