Geometry & MOs

Info

ID:	345604
PubChem CID:	127269904
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	372.207388
ΔH_f, kcal/mol:	-28.17
Dipole, Da:	5.72
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=C(C=C2)F)NC(=O)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations