Geometry & MOs

Info

ID:	182672
PubChem CID:	76922352
Reduced:	FNCl2H6C10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	243.001783
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	2.05
IP(EA), eV:	-10.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[chloro-(5-chloro-2-fluorophenyl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

CC(=C(C1=C(C=CC=C1Cl)F)Cl)C#N

DOS

IR

Vibrations