Geometry & MOs

Info

ID:	28190
PubChem CID:	826143
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-164.86
Dipole, Da:	1.64
IP(EA), eV:	-8.52(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@]1(C2=CC(=C(C(=C2)OC)OC)OC)O

DOS

IR

Vibrations