Geometry & MOs

Info

ID:

220038

PubChem CID:

85165173

Reduced:

N3O7C37H39 (1)

Stoich.:

A3B7C37D39 (1)

Weight, g/mol:

638.223745

ΔHf, kcal/mol:

-234.19

Dipole, Da:

3.44

IP(EA), eV:

 -8.85(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-[6-(dimethylamino)-8-hydrazinyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl]oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations