Geometry & MOs

Info

ID:	374559
PubChem CID:	131331506
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	294.91417
ΔH_f, kcal/mol:	2.44
Dipole, Da:	3.68
IP(EA), eV:	-9.32(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-iodo-4-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=C1NC=C2)CC#N

DOS

IR

Vibrations