Geometry & MOs

Info

ID:	121662
PubChem CID:	50776314
Reduced:	NOC4H4 (6)
Stoich.:	ABC4D4 (6)
Weight, g/mol:	468.175733
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	6.41
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-[4-methyl-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

CCN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)C)C3=NOC(=N3)C(=O)NCC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations