Geometry & MOs

Info

ID:

121615

PubChem CID:

50775061

Reduced:

FO3N5H26C29 (1)

Stoich.:

AB3C5D26E29 (1)

Weight, g/mol:

495.22704

ΔHf, kcal/mol:

-61.64

Dipole, Da:

4.73

IP(EA), eV:

 -9.19(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C4=NN(C(=O)N34)CC5=CC=CC=C5F)CC6=CC=CC=C6

DOS

IR

Vibrations