Geometry & MOs

Info

ID:	250542
PubChem CID:	103097370
Reduced:	SN3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	23.02
Dipole, Da:	5.35
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C1)N=C(S2)C(C)(C)C#N)N)C

DOS

IR

Vibrations