Geometry & MOs

Info

ID:	413893
PubChem CID:	135086844
Reduced:	OH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	9.02
Dipole, Da:	3.57
IP(EA), eV:	-9.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C(\C2=CC=CC=C2)/C(=O)C

DOS

IR

Vibrations