Geometry & MOs

Info

ID:	372689
PubChem CID:	131302582
Reduced:	N2O4H6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	220.048407
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	1.99
IP(EA), eV:	-10.31(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-3-methoxy-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C#N)C=O)[N+](=O)[O-]

DOS

IR

Vibrations