Geometry & MOs

Info

ID:	13197
PubChem CID:	222992
Reduced:	NO2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	222.064057
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	7.35
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dimethoxy-2-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations