Geometry & MOs

Info

ID:	284864
PubChem CID:	104078891
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	196.067034
ΔH_f, kcal/mol:	35.59
Dipole, Da:	2.09
IP(EA), eV:	-9.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(1,3-thiazol-2-yl)methyl]pentanenitrile

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(C1)(C#N)C(C3=NC=CS3)O

DOS

IR

Vibrations