Geometry & MOs

Info

ID:	374519
PubChem CID:	131330787
Reduced:	N3C11H11 (1)
Stoich.:	A3B11C11 (1)
Weight, g/mol:	326.9204
ΔH_f, kcal/mol:	77.63
Dipole, Da:	3.87
IP(EA), eV:	-9.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-3-iodo-5-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C(CC#N)CN

DOS

IR

Vibrations