Geometry & MOs

Info

ID:	141242
PubChem CID:	52845833
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	421.260351
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	4.9
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3S)-1-benzylpiperidin-1-ium-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)C3=CC4=C(C=C3)N(CC(=O)N4)C

DOS

IR

Vibrations