Geometry & MOs

Info

ID:

326025

PubChem CID:

126686083

Reduced:

N3O5C21H23 (1)

Stoich.:

A3B5C21D23 (1)

Weight, g/mol:

434.135698

ΔHf, kcal/mol:

-163.39

Dipole, Da:

7.37

IP(EA), eV:

 -8.75(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-15-methyl-16-(methylaminomethyl)-4-oxo-3,11,15-triazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaen-5-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CC1CCC2=C(C3=C1C=C4C(=C3)C=C(N4C)CNC)NC(=O)C(=C2O)OC(=O)O

DOS

IR

Vibrations