Geometry & MOs

Info

ID:	367172
PubChem CID:	127323588
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-104.99
Dipole, Da:	3.49
IP(EA), eV:	-9.49(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)CCOC

DOS

IR

Vibrations