Geometry & MOs

Info

ID:	367164
PubChem CID:	127323580
Reduced:	F2O2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	6.32
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations