Geometry & MOs

Info

ID:	395680
PubChem CID:	135026257
Reduced:	NO6H15C20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	339.125929
ΔH_f, kcal/mol:	-157.91
Dipole, Da:	6.92
IP(EA), eV:	-9.18(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-phenylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C(=C2)C(=O)OC)C(=O)NC3=O

DOS

IR

Vibrations