Geometry & MOs

Info

ID:	327327
PubChem CID:	126689546
Reduced:	BrO2N3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	25.45
Dipole, Da:	1.56
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylphenyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C(C=CC3=NNC(=O)N32)Br

DOS

IR

Vibrations