Geometry & MOs

Info

ID:	171322
PubChem CID:	75359475
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	278.167065
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	3.16
IP(EA), eV:	-8.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-tert-butylphenyl)-1-(2-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations