Geometry & MOs

Info

ID:

326015

PubChem CID:

126686044

Reduced:

Cl2N4O6C21H26 (1)

Stoich.:

A2B4C6D21E26 (1)

Weight, g/mol:

538.174975

ΔHf, kcal/mol:

-251.84

Dipole, Da:

11.29

IP(EA), eV:

 -8.43(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride

Drug info:

PubChemData

Smile

CNCCNCC1=CC2=CC3=C(C=C2N1C)OCCC4=C3NC(=O)C(=C4O)OC(=O)O.Cl.Cl

DOS

IR

Vibrations