Geometry & MOs

Info

ID:

80301

PubChem CID:

49833894

Reduced:

FN2O2C21H23 (1)

Stoich.:

AB2C2D21E23 (1)

Weight, g/mol:

739.433565

ΔHf, kcal/mol:

-81.86

Dipole, Da:

5.08

IP(EA), eV:

 -8.67(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[9-(dimethylamino)-11,11-dimethyl-3,4-dihydro-2H-naphtho[2,3-g]quinolin-1-ium-1-yl]-N-[6-[[2-oxo-2-[(6-oxo-5H-phenanthridin-2-yl)amino]ethyl]amino]hexyl]butanamide

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=C(NC(=O)C2=C1C=CC(=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations