Geometry & MOs

Info

ID:	48979
PubChem CID:	11528573
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	3.05
IP(EA), eV:	-10.44(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-6-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@@](CCC[C@@]1(CC2CC2)C#N)(C)O

DOS

IR

Vibrations