Geometry & MOs

Info

ID:	206937
PubChem CID:	80321689
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-11.94
Dipole, Da:	4.13
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(=O)C(C)(CC1=NC(=CS1)C(C)(C)C)C#N

DOS

IR

Vibrations