Geometry & MOs

Info

ID:	399138
PubChem CID:	135038102
Reduced:	O3C10H15 (1)
Stoich.:	A3B10C15 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755215
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(6-methylpyridin-2-yl)-2-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations