Geometry & MOs

Info

ID:

326007

PubChem CID:

126686002

Reduced:

N3O5C21H25 (1)

Stoich.:

A3B5C21D25 (1)

Weight, g/mol:

526.174975

ΔHf, kcal/mol:

-174.1

Dipole, Da:

13.59

IP(EA), eV:

 -8.49(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[[2-(dimethylamino)ethyl-methylamino]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

CC1CC2=C(C=CC(=C2)N3CCC(C3)N(C)C)C4=C1C(=C(C(=O)N4)OC(=O)O)O

DOS

IR

Vibrations