Geometry & MOs

Info

ID:	175392
PubChem CID:	75897126
Reduced:	O4N5C16H23 (1)
Stoich.:	A4B5C16D23 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	-28.63
Dipole, Da:	15.4
IP(EA), eV:	-6.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-hydroxypiperidin-1-yl)propylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C[NH+](CCC1O)CCCNC2=C(C(=O)[NH+]3C=CC=CC3=N2)[N+](=O)[O-]

DOS

IR

Vibrations