Geometry & MOs

Info

ID:	121658
PubChem CID:	50776310
Reduced:	FO4N7C23H26 (1)
Stoich.:	AB4C7D23E26 (1)
Weight, g/mol:	482.191383
ΔH_f, kcal/mol:	-72.67
Dipole, Da:	4.55
IP(EA), eV:	-8.91(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)F)C3=NOC(=N3)C(=O)N4CCN(CC4)C5CCCCC5

DOS

IR

Vibrations