Geometry & MOs

Info

ID:	348348
PubChem CID:	127273413
Reduced:	ON3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	54.5
Dipole, Da:	1.98
IP(EA), eV:	-9.61(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-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

CC1=NN2CC(CCC2=N1)NC(=O)C3=NOC(=C3)C4=CC=NC=C4

DOS

IR

Vibrations