Geometry & MOs

Info

ID:	342234
PubChem CID:	127265011
Reduced:	N3O3H9C14 (1)
Stoich.:	A3B3C9D14 (1)
Weight, g/mol:	292.135782
ΔH_f, kcal/mol:	47.72
Dipole, Da:	2.87
IP(EA), eV:	-10.09(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC2=NC=C(C=C2)C#N)O)[N+](=O)[O-]

DOS

IR

Vibrations