Geometry & MOs

Info

ID:	372688
PubChem CID:	131302559
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	206.032757
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	5.02
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-formyl-2-methoxy-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(N1)C(=O)O)C2=CN=CO2

DOS

IR

Vibrations