Geometry & MOs

Info

ID:	121672
PubChem CID:	50776416
Reduced:	O4N6C17H18 (1)
Stoich.:	A4B6C17D18 (1)
Weight, g/mol:	439.196802
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	7.32
IP(EA), eV:	-9.5(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-[5-(4-ethylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC(=NO1)C2=NN(C(=O)N(C2=O)CC)C3=CC=C(C=C3)C

DOS

IR

Vibrations