Geometry & MOs

Info

ID:	349520
PubChem CID:	127275407
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	51.54
Dipole, Da:	3.62
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCC(CC2)C#N)C3=CC=CC=N3

DOS

IR

Vibrations