Geometry & MOs

Info

ID:	367460
PubChem CID:	127324700
Reduced:	O2N7C17H25 (1)
Stoich.:	A2B7C17D25 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	1.55
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCC(CC3)C4=NC(=NO4)C

DOS

IR

Vibrations