Geometry & MOs

Info

ID:	175393
PubChem CID:	75897127
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	348.167179
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	8.44
IP(EA), eV:	-9.09(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(4-hydroxypiperidin-1-yl)propylamino]-3-nitro-5H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1O)CCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-]

DOS

IR

Vibrations