Geometry & MOs

Info

ID:	206899
PubChem CID:	80321036
Reduced:	SN2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	241.150036
ΔH_f, kcal/mol:	2.72
Dipole, Da:	1.16
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylhexan-3-ol

Drug info:

PubChemData

Smile

CC1C(CCC1NC)CC2=NC(=CS2)C

DOS

IR

Vibrations