Geometry & MOs

Info

ID:	259758
PubChem CID:	103173757
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	3.47
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxypyridin-2-yl)methyl]-4-propylcyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CS(=O)(=O)C2=C(C=NC=C2)N)OC

DOS

IR

Vibrations