Geometry & MOs

Info

ID:	380506
PubChem CID:	134970970
Reduced:	FO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	220.089958
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	2.34
IP(EA), eV:	-9.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenyl)-6-methyl-3-methylideneoxan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC=CC=C1F)C(=C)C(=O)OC)C(=O)C

DOS

IR

Vibrations