Geometry & MOs

Info

ID:	347352
PubChem CID:	127272201
Reduced:	OS2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	46.85
Dipole, Da:	6.15
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-thiazol-2-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NCC3=CN4C=CSC4=N3

DOS

IR

Vibrations