Geometry & MOs

Info

ID:

325999

PubChem CID:

126685955

Reduced:

N4O5C26H30 (1)

Stoich.:

A4B5C26D30 (1)

Weight, g/mol:

538.174975

ΔHf, kcal/mol:

-161.27

Dipole, Da:

9.62

IP(EA), eV:

 -8.59(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[[3-(dimethylamino)pyrrolidin-1-yl]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;dihydrochloride

Drug info:

PubChemData

Smile

CN1CCC2C1CN(C2)CC3=CC4=CC5=C(CCCC6=C5NC(=O)C(=C6O)OC(=O)O)C=C4N3C

DOS

IR

Vibrations