Geometry & MOs

Info

ID:	438857
PubChem CID:	135228615
Reduced:	O7H22C26 (1)
Stoich.:	A7B22C26 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-186.05
Dipole, Da:	3.59
IP(EA), eV:	-8.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,3R)-3-methylcyclohexyl]oxypropane-1,2-diol

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)[C@@]3(C(=O)CC(C3(O2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)O

DOS

IR

Vibrations