Geometry & MOs

Info

ID:	133544
PubChem CID:	51546123
Reduced:	ON4H20C24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	294.064544
ΔH_f, kcal/mol:	100.15
Dipole, Da:	4.46
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4-triazol-3-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NCC3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations