Geometry & MOs

Info

ID:	121673
PubChem CID:	50776489
Reduced:	O4N7C21H25 (1)
Stoich.:	A4B7C21D25 (1)
Weight, g/mol:	468.223351
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	7.44
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=NC(=NO2)C3=NN(C(=O)N(C3=O)CC)C4=CC=C(C=C4)C

DOS

IR

Vibrations