Geometry & MOs

Info

ID:	264328
PubChem CID:	103454136
Reduced:	FOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	2.8
IP(EA), eV:	-9.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,5-dimethylphenyl)hex-3-en-2-one

Drug info:

PubChemData

Smile

CC/C=C/C(=O)C1=CC(=C(C=C1)F)C

DOS

IR

Vibrations