Geometry & MOs

Info

ID:	394459
PubChem CID:	135023023
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-182.56
Dipole, Da:	2.48
IP(EA), eV:	-9.28(0.41)
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]isochromene

Drug info:

PubChemData

Smile

CCC[C@H](C[C@@H]([C@H](COCC1=CC=CC=C1)O)O)O

DOS

IR

Vibrations