Geometry & MOs

Info

ID:	264312
PubChem CID:	103453623
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	178.079393
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	3.78
IP(EA), eV:	-9.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-methylphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C=CC(=O)C1CCOC2(C1)CCOC2

DOS

IR

Vibrations