Geometry & MOs

Info

ID:	407672
PubChem CID:	135080423
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	1.06
IP(EA), eV:	-9.3(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2CC[C@]1(O)OC)O

DOS

IR

Vibrations