Geometry & MOs

Info

ID:	250513
PubChem CID:	103097222
Reduced:	NSC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	229.067369
ΔH_f, kcal/mol:	68.76
Dipole, Da:	3.79
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CSC(=N2)C(C)(C)C#N

DOS

IR

Vibrations