Geometry & MOs

Info

ID:	216481
PubChem CID:	85086297
Reduced:	SO4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-179.08
Dipole, Da:	6.18
IP(EA), eV:	-10.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-(2-hydroxyethyl)-5-(methoxymethoxy)-3-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

Drug info:

PubChemData

Smile

CCC(C(CO)CS(=O)(=O)C1=CC=C(C=C1)C)O

DOS

IR

Vibrations