Geometry & MOs

Info

ID:	288935
PubChem CID:	104328656
Reduced:	FON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	237.072055
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	1.47
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[chloro-(4-fluoro-2-methylphenyl)methylidene]pentanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(CC2=CC(=NC=N2)OC)NC

DOS

IR

Vibrations