Geometry & MOs

Info

ID:	67191
PubChem CID:	46506033
Reduced:	BrClO2N3H16C21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	470.02709
ΔH_f, kcal/mol:	5.49
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964117
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)N(C(C2=CC=CC=[N+]21)C(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br

DOS

IR

Vibrations