Geometry & MOs

Info

ID:	374283
PubChem CID:	131326137
Reduced:	NOF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	209.06522
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	2.1
IP(EA), eV:	-10.52(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1C#N)C(F)F)C=O

DOS

IR

Vibrations