Geometry & MOs

Info

ID:	206936
PubChem CID:	80321688
Reduced:	SN2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	50.84
Dipole, Da:	3.04
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC2(CCC2)C#N

DOS

IR

Vibrations