Geometry & MOs

Info

ID:	121659
PubChem CID:	50776311
Reduced:	N6O6C23H26 (1)
Stoich.:	A6B6C23D26 (1)
Weight, g/mol:	446.170253
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	7.9
IP(EA), eV:	-9.43(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)C)C3=NOC(=N3)C(=O)N4CCC(CC4)C(=O)OCC

DOS

IR

Vibrations