Geometry & MOs

Info

ID:	371747
PubChem CID:	131271456
Reduced:	NOF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	223.08087
ΔH_f, kcal/mol:	-103.1
Dipole, Da:	3.02
IP(EA), eV:	-10.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2-(difluoromethyl)-6-ethylbenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations