Geometry & MOs

Info

ID:	383561
PubChem CID:	134975348
Reduced:	BrO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-120.48
Dipole, Da:	2.26
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,3R)-5,10-dimethoxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)O[C@@H](CC=C)CC1=C(C2=CC=CC=C2C(=C1Br)OC)OC

DOS

IR

Vibrations