Geometry & MOs

Info

ID:

121628

PubChem CID:

50775199

Reduced:

ClO3N5H26C28 (1)

Stoich.:

AB3C5D26E28 (1)

Weight, g/mol:

489.237604

ΔHf, kcal/mol:

-31.61

Dipole, Da:

1.8

IP(EA), eV:

 -9.22(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-N-(2-methylpropyl)-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC4=CC=CC=C4Cl)CC5=CC=CC=C5

DOS

IR

Vibrations