Geometry & MOs

Info

ID:	327326
PubChem CID:	126689543
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	304.97999
ΔH_f, kcal/mol:	14.12
Dipole, Da:	2.84
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC3=NNC(=O)N32)C4=CC=CC=C4Cl

DOS

IR

Vibrations