Geometry & MOs

Info

ID:	247628
PubChem CID:	103072464
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	6.79
IP(EA), eV:	-9.35(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-nitro-3-[2-(propylaminomethyl)prop-2-enyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)N(C1=O)CC(=C)CNC)[N+](=O)[O-]

DOS

IR

Vibrations