Geometry & MOs

Info

ID:

326017

PubChem CID:

126686066

Reduced:

N3O5C23H25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

449.171749

ΔHf, kcal/mol:

-148.6

Dipole, Da:

8.94

IP(EA), eV:

 -8.62(-0.78)

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;hydrochloride

Drug info:

PubChemData

Smile

CC1(CC1)NCC2=CC3=CC4=C(CCCC5=C4NC(=O)C(=C5O)OC(=O)O)C=C3N2C

DOS

IR

Vibrations