Geometry & MOs

Info

ID:	166460
PubChem CID:	74691759
Reduced:	Cl2O3N5H16C17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	298.09918
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	1.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.084141
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-(9-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)benzamide

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CC3CC(=NO3)C4=C(C=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations