Geometry & MOs

Info

ID:	375193
PubChem CID:	131472821
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	46.34
Dipole, Da:	3.08
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=NC(=CS2)CC#N

DOS

IR

Vibrations