Geometry & MOs

Info

ID:	298635
PubChem CID:	117653082
Reduced:	O4N9C31H39 (1)
Stoich.:	A4B9C31D39 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	-28.77
Dipole, Da:	1.96
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(6-methyltriazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N([C@@H]2CCCNC2)C(=O)C3=CC=C(C=C3)C4=C(N(N=C4)C)C5=NN(N=N5)C(C(C)C)OC(=O)OC(C)C

DOS

IR

Vibrations