Geometry & MOs

Info

ID:	399497
PubChem CID:	135040577
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	5.91
Dipole, Da:	1.62
IP(EA), eV:	-8.99(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[hydroxy(phenyl)methyl]-3,5-dimethylfuran-2-one

Drug info:

PubChemData

Smile

CN[C@@H](C1C2CC(C1O)C=C2)C3=CC=CC=C3

DOS

IR

Vibrations