Geometry & MOs

Info

ID:

326008

PubChem CID:

126686009

Reduced:

Cl2N4O5C24H32 (1)

Stoich.:

A2B4C5D24E32 (1)

Weight, g/mol:

448.151348

ΔHf, kcal/mol:

-230.22

Dipole, Da:

12.44

IP(EA), eV:

 -8.65(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrido[3,2-d][1]benzazepin-3-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CN(C)CCN(C)C.Cl.Cl

DOS

IR

Vibrations