Geometry & MOs

Info

ID:	394460
PubChem CID:	135023024
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	304.131074
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	4.65
IP(EA), eV:	-8.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5,9,10-trimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-ol

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C3=C(C(=CC=C3)OC)C(=C2CO1)OC)OC

DOS

IR

Vibrations