Geometry & MOs

Info

ID:

326032

PubChem CID:

126686143

Reduced:

N2O5C17H18 (1)

Stoich.:

A2B5C17D18 (1)

Weight, g/mol:

445.140449

ΔHf, kcal/mol:

-171.68

Dipole, Da:

11.04

IP(EA), eV:

 -8.64(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[(cyclopropylamino)methyl]-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

CN(C)C1=CC2=C(C=C1)C3=C(CCC2)C(=C(C(=O)N3)OC(=O)O)O

DOS

IR

Vibrations