Geometry & MOs

Info

ID:	18910
PubChem CID:	550879
Reduced:	N4O7C10H12 (1)
Stoich.:	A4B7C10D12 (1)
Weight, g/mol:	300.070599
ΔH_f, kcal/mol:	-128.9
Dipole, Da:	7.74
IP(EA), eV:	-10.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethoxy-5-nitropyrimidin-4-yl)-1-methoxy-2-nitrosoprop-1-en-1-ol

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1[N+](=O)[O-])CC(=C(O)OC)N=O)OC

DOS

IR

Vibrations