Geometry & MOs

Info

ID:	264327
PubChem CID:	103454124
Reduced:	ClOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	192.095043
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	2.44
IP(EA), eV:	-9.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-fluoro-3-methylphenyl)pent-2-en-1-one

Drug info:

PubChemData

Smile

CC/C=C/C(=O)CC1=CC=CC=C1Cl

DOS

IR

Vibrations