Geometry & MOs

Info

ID:	446209
PubChem CID:	135273156
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	6.2
IP(EA), eV:	-9.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(=O)NCCC1CCC2C1C3CC(C2C3)CCNC(=O)C=C

DOS

IR

Vibrations