Geometry & MOs

Info

ID:	347428
PubChem CID:	127272277
Reduced:	OSN6C18H24 (1)
Stoich.:	ABC6D18E24 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	16.89
Dipole, Da:	3.63
IP(EA), eV:	-8.71(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations