Geometry & MOs

Info

ID:	446225
PubChem CID:	135273253
Reduced:	BrOC26H27 (1)
Stoich.:	ABC26D27 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	0.83
Dipole, Da:	2.86
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C([C@H](CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCBr

DOS

IR

Vibrations