Geometry & MOs

Info

ID:	15477
PubChem CID:	442469
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-180.22
Dipole, Da:	3.67
IP(EA), eV:	-10.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S,7aR)-6,7-dihydroxy-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=C2CC[C@@]([C@H]([C@@H]2OC1=O)O)(C)O

DOS

IR

Vibrations