Geometry & MOs

Info

ID:	20703
PubChem CID:	585281
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	3.8
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3,3-dimethyl-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)O)OC1=O)C

DOS

IR

Vibrations