Geometry & MOs

Info

ID:

326029

PubChem CID:

126686107

Reduced:

ClN3O6C21H24 (1)

Stoich.:

AB3C6D21E24 (1)

Weight, g/mol:

398.15902

ΔHf, kcal/mol:

-236.77

Dipole, Da:

3.43

IP(EA), eV:

 -8.75(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-(ethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,10,14-triazatetracyclo[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

CCNCC1=CC2=CC3=C(C=C2N1C)OCC(C4=C3NC(=O)C(=C4O)OC(=O)O)C.Cl

DOS

IR

Vibrations