Geometry & MOs

Info

ID:	348342
PubChem CID:	127273407
Reduced:	FON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	399.207053
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	2.73
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations