Geometry & MOs

Info

ID:

326022

PubChem CID:

126686073

Reduced:

N3O5C19H21 (1)

Stoich.:

A3B5C19D21 (1)

Weight, g/mol:

433.140449

ΔHf, kcal/mol:

-165.78

Dipole, Da:

7.22

IP(EA), eV:

 -8.45(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-(ethylaminomethyl)-6-hydroxy-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

CN1CCC2=C(C3=C1C=C(C=C3)N4CCCC4)NC(=O)C(=C2O)OC(=O)O

DOS

IR

Vibrations