Geometry & MOs

Info

ID:	47680
PubChem CID:	10534726
Reduced:	NF2O2C4H7 (1)
Stoich.:	AB2C2D4E7 (1)
Weight, g/mol:	139.006469
ΔH_f, kcal/mol:	-197.41
Dipole, Da:	4.54
IP(EA), eV:	-10.67(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorobenzonitrile

Drug info:

PubChemData

Smile

CC(C(F)F)(C(=O)O)N

DOS

IR

Vibrations