Geometry & MOs

Info

ID:	389332
PubChem CID:	134992315
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	2.59
IP(EA), eV:	-8.82(1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-1-hydroxy-6,7-dimethyl-4a,5,8,8a-tetrahydro-1H-isochromen-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](OC(O1)C2CCC(=CC2)C)C

DOS

IR

Vibrations