Geometry & MOs

Info

ID:	342115
PubChem CID:	127264828
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	286.117824
ΔH_f, kcal/mol:	-39.35
Dipole, Da:	5.36
IP(EA), eV:	-9.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-N-[2-(triazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=CC(=C1)C=C(C#N)C(=O)OCC=C

DOS

IR

Vibrations