Geometry & MOs

Info

ID:

326035

PubChem CID:

126686153

Reduced:

N3O5C23H27 (1)

Stoich.:

A3B5C23D27 (1)

Weight, g/mol:

448.151348

ΔHf, kcal/mol:

-176.04

Dipole, Da:

8.61

IP(EA), eV:

 -8.68(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[16-(ethylaminomethyl)-6-hydroxy-15-methyl-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

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

DOS

IR

Vibrations