Geometry & MOs

Info

ID:	371623
PubChem CID:	131269131
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	206.032757
ΔH_f, kcal/mol:	0.58
Dipole, Da:	5.2
IP(EA), eV:	-9.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formyl-2-methoxy-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CCC1=NC(=O)C(=C(N1)C#N)C(C)C

DOS

IR

Vibrations