Geometry & MOs

Info

ID:	206924
PubChem CID:	80321607
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	262.15037
ΔH_f, kcal/mol:	-6.21
Dipole, Da:	3.02
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)(C#N)C(=O)C)C

DOS

IR

Vibrations