Geometry & MOs

Info

ID:

326019

PubChem CID:

126686068

Reduced:

N3O5C22H27 (1)

Stoich.:

A3B5C22D27 (1)

Weight, g/mol:

440.20597

ΔHf, kcal/mol:

-174.4

Dipole, Da:

12.94

IP(EA), eV:

 -8.46(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[[2-(dimethylamino)ethylamino]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

Drug info:

PubChemData

Smile

CN(C)C1CCCN(C1)C2=CC3=C(C=C2)C4=C(CCC3)C(=C(C(=O)N4)OC(=O)O)O

DOS

IR

Vibrations