Geometry & MOs

Info

ID:	156350
PubChem CID:	56370230
Reduced:	FO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	364.039689
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	8.73
IP(EA), eV:	-9.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=CN6C=NN=C6C=C5

DOS

IR

Vibrations