Geometry & MOs

Info

ID:	143398
PubChem CID:	53202981
Reduced:	ClO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	403.121131
ΔH_f, kcal/mol:	15.58
Dipole, Da:	6.81
IP(EA), eV:	-9.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=C3N2C=C(C=C3)Cl)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations