Geometry & MOs

Info

ID:	345605
PubChem CID:	127269905
Reduced:	FON6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	4.86
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CNC(=O)N3CCC(CC3)NC4=CC=C(C=C4)F)C1

DOS

IR

Vibrations