Geometry & MOs

Info

ID:	121671
PubChem CID:	50776415
Reduced:	O2N3H12C13 (2)
Stoich.:	A2B3C12D13 (2)
Weight, g/mol:	370.138953
ΔH_f, kcal/mol:	6.51
Dipole, Da:	7.09
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-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)N4CCC(=CC4)C5=CC=CC=C5

DOS

IR

Vibrations