Geometry & MOs

Info

ID:	182675
PubChem CID:	76922439
Reduced:	ClNF2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	233.097127
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	3.13
IP(EA), eV:	-10.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[chloro-(2,4,6-trimethylphenyl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations