Geometry & MOs

Info

ID:	121660
PubChem CID:	50776312
Reduced:	O4N6H22C23 (1)
Stoich.:	A4B6C22D23 (1)
Weight, g/mol:	410.170253
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	1.9
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-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)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations