Geometry & MOs

Info

ID:	444684
PubChem CID:	135263263
Reduced:	OC18H24 (1)
Stoich.:	AB18C24 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-25.65
Dipole, Da:	3.03
IP(EA), eV:	-9.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-5-methyl-6-(3-methylphenyl)hexa-3,5-dien-2-one

Drug info:

PubChemData

Smile

CCCCCCC(=CC1=CC=CC=C1)/C=C/C(=O)C

DOS

IR

Vibrations