Geometry & MOs

Info

ID:	328820
PubChem CID:	126728287
Reduced:	NSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	190.037842
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	8.45
IP(EA), eV:	-7.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyridin-4-yl)-4-nitrosooxet-2-one

Drug info:

PubChemData

Smile

CC1=C/C(=C/C=C\C(=C\2/C(=O)C(=O)O2)\SC)/C=CN1

DOS

IR

Vibrations