Geometry & MOs

Info

ID:	23179
PubChem CID:	602720
Reduced:	N4O5C10H16 (1)
Stoich.:	A4B5C10D16 (1)
Weight, g/mol:	272.11207
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	7.81
IP(EA), eV:	-10.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,2-diethoxyethylamino)-5-nitro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCOC(CNC1=C(C=NC(=O)N1)[N+](=O)[O-])OCC

DOS

IR

Vibrations