Geometry & MOs

Info

ID:

326028

PubChem CID:

126686098

Reduced:

N3O6C20H23 (1)

Stoich.:

A3B6C20D23 (1)

Weight, g/mol:

449.135363

ΔHf, kcal/mol:

-200.72

Dipole, Da:

12.05

IP(EA), eV:

 -8.62(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-(ethylaminomethyl)-6-hydroxy-8,14-dimethyl-4-oxo-10-oxa-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

CN(C)C1CCN(C1)C2=CC3=C(C=C2)C4=C(CCO3)C(=C(C(=O)N4)OC(=O)O)O

DOS

IR

Vibrations