Geometry & MOs

Info

ID:	166107
PubChem CID:	74638446
Reduced:	N2O3Cl4H16C23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	393.203899
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	5.09
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-prop-2-enylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations