Geometry & MOs

Info

ID:	164924
PubChem CID:	74473726
Reduced:	N3O5H12C14 (1)
Stoich.:	A3B5C12D14 (1)
Weight, g/mol:	303.085521
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	8.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.902014
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-ethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC2=NC(=O)C(C(=N2)[O-])[N+](=O)[O-]

DOS

IR

Vibrations