Geometry & MOs

Info

ID:	399601
PubChem CID:	135041214
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	236.064886
ΔH_f, kcal/mol:	-30.61
Dipole, Da:	4.25
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-2-[(E)-2-phenylethenyl]-2H-pyran-6-one

Drug info:

PubChemData

Smile

CC(=O)/C=C/C=C/OCC1=CC=CC=C1

DOS

IR

Vibrations