Geometry & MOs

Info

ID:

326045

PubChem CID:

126686191

Reduced:

N3O5C23H25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

397.163771

ΔHf, kcal/mol:

-152.86

Dipole, Da:

10.1

IP(EA), eV:

 -8.68(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNC5CCC5

DOS

IR

Vibrations