Geometry & MOs

Info

ID:	374282
PubChem CID:	131326128
Reduced:	NOF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	209.06522
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	0.85
IP(EA), eV:	-10.5(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-2-ethyl-3-formylbenzonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C#N)C=O)C(F)F

DOS

IR

Vibrations