Geometry & MOs

Info

ID:	135756
PubChem CID:	51929326
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	362.084234
ΔH_f, kcal/mol:	-151.4
Dipole, Da:	5.55
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H]4CC(=O)NC5=C4C=CC(=C5)F

DOS

IR

Vibrations