Geometry & MOs

Info

ID:	374281
PubChem CID:	131326127
Reduced:	NOF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	209.06522
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	5.29
IP(EA), eV:	-10.47(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations