Geometry & MOs

Info

ID:

325997

PubChem CID:

126685943

Reduced:

Cl2N3O4C17H19 (1)

Stoich.:

A2B3C4D17E19 (1)

Weight, g/mol:

412.17467

ΔHf, kcal/mol:

-131.93

Dipole, Da:

5.96

IP(EA), eV:

 -9.27(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[(2-aminoethylamino)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

C1COCCN1CCOC2=C(C=CC(=C2)C3=CC(=NC=N3)C(=O)O)Cl.Cl

DOS

IR

Vibrations