Geometry & MOs

Info

ID:	280223
PubChem CID:	103847824
Reduced:	N3O6C11H13 (1)
Stoich.:	A3B6C11D13 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	9.65
IP(EA), eV:	-9.83(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-methyl-5-nitropyridin-2-yl)amino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

DOS

IR

Vibrations