Geometry & MOs

Info

ID:

326034

PubChem CID:

126686152

Reduced:

ClN3O5C23H28 (1)

Stoich.:

AB3C5D23E28 (1)

Weight, g/mol:

425.195071

ΔHf, kcal/mol:

-207.69

Dipole, Da:

9.0

IP(EA), eV:

 -8.65(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-(butylaminomethyl)-6-hydroxy-14-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

Drug info:

PubChemData

Smile

CCCCNCC1=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C2N1C.Cl

DOS

IR

Vibrations