Geometry & MOs

Info

ID:	398953
PubChem CID:	135036545
Reduced:	FC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	1.43
IP(EA), eV:	-9.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylpent-3-enyl)phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCC=C(C1)C2=CC=CC=C2F

DOS

IR

Vibrations