Geometry & MOs

Info

ID:	373958
PubChem CID:	131321720
Reduced:	ClNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-162.34
Dipole, Da:	5.83
IP(EA), eV:	-10.68(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-3,5-diethylbenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CCl)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations