Geometry & MOs

Info

ID:	385901
PubChem CID:	134980278
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	320.214016
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	3.48
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-benzyl-1-(2,3,5,6-tetramethylphenyl)hex-4-en-1-one

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2C=C1)([C@@H](C=C)C(=O)OC)O

DOS

IR

Vibrations