Geometry & MOs

Info

ID:	371746
PubChem CID:	131271452
Reduced:	NOF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	223.08087
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	5.12
IP(EA), eV:	-10.4(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-(difluoromethyl)-2-ethylbenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations