Geometry & MOs

Info

ID:	183322
PubChem CID:	77007453
Reduced:	N3O6C7H9 (1)
Stoich.:	A3B6C7D9 (1)
Weight, g/mol:	270.07261
ΔH_f, kcal/mol:	-170.99
Dipole, Da:	5.88
IP(EA), eV:	-10.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(3-ethyl-5-nitro-2,6-dioxo-5H-pyrimidin-3-ium-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)CN1CC(C(=O)NC1=O)[N+](=O)[O-]

DOS

IR

Vibrations