Geometry & MOs

Info

ID:

326018

PubChem CID:

126686067

Reduced:

ClN3O5C22H28 (1)

Stoich.:

AB3C5D22E28 (1)

Weight, g/mol:

413.195071

ΔHf, kcal/mol:

-209.25

Dipole, Da:

11.4

IP(EA), eV:

 -8.52(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-[3-(dimethylamino)piperidin-1-yl]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CN(C)C1CCCN(C1)C2=CC3=C(C=C2)C4=C(CCC3)C(=C(C(=O)N4)OC(=O)O)O.Cl

DOS

IR

Vibrations