Geometry & MOs

Info

ID:	379933
PubChem CID:	134964355
Reduced:	OC19H22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	233.120449
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	2.74
IP(EA), eV:	-9.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(3-methylphenyl)methyl]-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](CC(=O)C)C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations