Geometry & MOs

Info

ID:

326046

PubChem CID:

126686201

Reduced:

N3O5C21H23 (1)

Stoich.:

A3B5C21D23 (1)

Weight, g/mol:

449.135363

ΔHf, kcal/mol:

-164.5

Dipole, Da:

8.82

IP(EA), eV:

 -8.58(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-15-[(2-hydroxyethylamino)methyl]-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;hydrochloride

Drug info:

PubChemData

Smile

CCNCC1=CC2=C(N1C)C=CC3=C2CCCC4=C3NC(=O)C(=C4O)OC(=O)O

DOS

IR

Vibrations