Geometry & MOs

Info

ID:	175370
PubChem CID:	75890962
Reduced:	NO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	277.110279
ΔH_f, kcal/mol:	15.64
Dipole, Da:	2.43
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)prop-2-enoyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations