Geometry & MOs

Info

ID:	220957
PubChem CID:	85247964
Reduced:	SO3H10C13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	1.5
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-3,6-dimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-10-yl)methanol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)C=CC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations