Geometry & MOs

Info

ID:	170563
PubChem CID:	75253317
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	421.171417
ΔH_f, kcal/mol:	14.54
Dipole, Da:	6.51
IP(EA), eV:	-8.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-difluoropyridin-2-yl)ethyl]-3-ethyl-8-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=C1CCOC1=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations