Geometry & MOs

Info

ID:	399952
PubChem CID:	135044142
Reduced:	FO4C6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-230.23
Dipole, Da:	5.07
IP(EA), eV:	-11.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-3-(2,4,6-trimethylphenyl)-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C(=O)O)F

DOS

IR

Vibrations