Geometry & MOs

Info

ID:	374423
PubChem CID:	131328995
Reduced:	FO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	209.06522
ΔH_f, kcal/mol:	-155.2
Dipole, Da:	5.11
IP(EA), eV:	-10.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(CC1=O)C(=C(C=C2)C(=O)O)F

DOS

IR

Vibrations