Geometry & MOs

Info

ID:	217245
PubChem CID:	85087495
Reduced:	PO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-139.45
Dipole, Da:	4.1
IP(EA), eV:	-9.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dimethoxy-1,3-dimethyl-10-propan-2-yloxy-3,4-dihydro-1H-benzo[g]isochromen-4-ol

Drug info:

PubChemData

Smile

CC(C)C(C(C(C)CO)O)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations