Geometry & MOs

Info

ID:	247734
PubChem CID:	103073014
Reduced:	O3N4C8H10 (1)
Stoich.:	A3B4C8D10 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	3.89
IP(EA), eV:	-9.85(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-1-[2-(propylaminomethyl)prop-2-enyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C=C(CN)CN1C=C(C=NC1=O)[N+](=O)[O-]

DOS

IR

Vibrations