Geometry & MOs

Info

ID:	182673
PubChem CID:	76922390
Reduced:	FNCl2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	207.045092
ΔH_f, kcal/mol:	-7.82
Dipole, Da:	2.09
IP(EA), eV:	-9.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-(3-methoxyphenyl)-2-methylprop-2-enenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations