Geometry & MOs

Info

ID:

326037

PubChem CID:

126686160

Reduced:

ClN4O5C19H21 (1)

Stoich.:

AB4C5D19E21 (1)

Weight, g/mol:

421.140449

ΔHf, kcal/mol:

-169.18

Dipole, Da:

10.29

IP(EA), eV:

 -8.86(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-13-[3-(methylamino)pyrrolidin-1-yl]-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

C1CNC2=C(C=CC(=C2)N3C[C@@H]4[C@H](C3)C4N)C5=C1C(=C(C(=O)N5)OC(=O)O)O.Cl

DOS

IR

Vibrations