Geometry & MOs

Info

ID:	374669
PubChem CID:	131342377
Reduced:	ON4C7H12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	168.035734
ΔH_f, kcal/mol:	12.21
Dipole, Da:	1.22
IP(EA), eV:	-9.18(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-1,3-thiazol-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CC1=NNN=C1C2CNCCO2

DOS

IR

Vibrations