Geometry & MOs

Info

ID:	67187
PubChem CID:	46506027
Reduced:	ClN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	316.085279
ΔH_f, kcal/mol:	-37.02
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954909
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C3=CC=CC=[N+]3CC2=O)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations