Geometry & MOs

Info

ID:	380070
PubChem CID:	134964875
Reduced:	OC15H16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	269.060742
ΔH_f, kcal/mol:	18.15
Dipole, Da:	2.99
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-chloro-4-methoxyphenyl)ethenyl]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C=C/C1=CC=CC=C1)/CC=C

DOS

IR

Vibrations