Geometry & MOs

Info

ID:

326053

PubChem CID:

126686245

Reduced:

ClN3O7C20H22 (1)

Stoich.:

AB3C7D20E22 (1)

Weight, g/mol:

466.22162

ΔHf, kcal/mol:

-265.38

Dipole, Da:

7.86

IP(EA), eV:

 -8.82(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-4-oxo-15-[(2-pyrrolidin-1-ylethylamino)methyl]-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

CN1C(=CC2=CC3=C(C=C21)OCCC4=C3NC(=O)C(=C4O)OC(=O)O)CNCCO.Cl

DOS

IR

Vibrations