Geometry & MOs

Info

ID:	405269
PubChem CID:	135073318
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	3.0
IP(EA), eV:	-9.52(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-methylphenyl)-3-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC#CCN(CC=C)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations