Geometry & MOs

Info

ID:	250522
PubChem CID:	103097275
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	262.033147
ΔH_f, kcal/mol:	62.55
Dipole, Da:	3.76
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC2=C(S1)CCCC3=CC=CC=C32

DOS

IR

Vibrations