Geometry & MOs

Info

ID:	59015
PubChem CID:	24770318
Reduced:	OSeC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	320.125988
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	1.48
IP(EA), eV:	-8.37(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-5,9,10-trimethoxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromene-3,4-diol

Drug info:

PubChemData

Smile

C=C(C1(CCCCC1)O)[Se]C2=CC=CC=C2

DOS

IR

Vibrations