Geometry & MOs

Info

ID:	8865
PubChem CID:	82677
Reduced:	N2O3H6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	178.037842
ΔH_f, kcal/mol:	10.74
Dipole, Da:	7.0
IP(EA), eV:	-10.27(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations