Geometry & MOs

Info

ID:	404443
PubChem CID:	135066301
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	1.44
IP(EA), eV:	-9.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-hydroxy-3-propan-2-yl-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C)C(C)C)C1=CC=CC=C1

DOS

IR

Vibrations