Geometry & MOs

Info

ID:

179520

PubChem CID:

76492978

Reduced:

O2N6H34C35 (1)

Stoich.:

A2B6C34D35 (1)

Weight, g/mol:

437.241352

ΔHf, kcal/mol:

33.9

Dipole, Da:

4.87

IP(EA), eV:

 -8.91(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 1-(1-hydroxyethyl)-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(CC3=CC=CC4=CC=CC=C43)C(=O)NC(CC5=CN=CN5)C(=O)NCCC6=NC=CN6

DOS

IR

Vibrations