Geometry & MOs

Info

ID:	121663
PubChem CID:	50776315
Reduced:	N3O3C11H12 (2)
Stoich.:	A3B3C11D12 (2)
Weight, g/mol:	432.154603
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	6.98
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2=NC(=NO2)C3=NN(C(=O)N(C3=O)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations