Geometry & MOs

Info

ID:	250517
PubChem CID:	103097241
Reduced:	SN2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	54.35
Dipole, Da:	2.93
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-1,3-thiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=CC=CC=C31)N=C(S2)C(C)(C)C#N)C

DOS

IR

Vibrations