Geometry & MOs

Info

ID:

121665

PubChem CID:

50776317

Reduced:

O2N3H10C11 (2)

Stoich.:

A2B3C10D11 (2)

Weight, g/mol:

487.196802

ΔHf, kcal/mol:

-7.43

Dipole, Da:

8.31

IP(EA), eV:

 -9.5(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-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

CC1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)C3=NN(C(=O)N(C3=O)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations