Geometry & MOs

Info

ID:	121656
PubChem CID:	50776226
Reduced:	ClO4N6H15C20 (1)
Stoich.:	AB4C6D15E20 (1)
Weight, g/mol:	483.186632
ΔH_f, kcal/mol:	2.23
Dipole, Da:	5.4
IP(EA), eV:	-9.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations