Geometry & MOs

Info

ID:	67186
PubChem CID:	46506025
Reduced:	N3O7C21H21 (1)
Stoich.:	A3B7C21D21 (1)
Weight, g/mol:	408.111494
ΔH_f, kcal/mol:	-152.4
Dipole, Da:	10.19
IP(EA), eV:	-8.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations