Geometry & MOs

Info

ID:	68115
PubChem CID:	46507775
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	281.091275
ΔH_f, kcal/mol:	2.06
Dipole, Da:	6.86
IP(EA), eV:	-9.5(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)NN

DOS

IR

Vibrations