Geometry & MOs

Info

ID:	367903
PubChem CID:	127326076
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	27.04
Dipole, Da:	9.04
IP(EA), eV:	-9.05(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-1-(3-fluorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC=CC=C2)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations