Geometry & MOs

Info

ID:

80334

PubChem CID:

49834071

Reduced:

ClN2O2H17C18 (1)

Stoich.:

AB2C2D17E18 (1)

Weight, g/mol:

810.371653

ΔHf, kcal/mol:

-35.6

Dipole, Da:

5.76

IP(EA), eV:

 -8.61(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)NC(=C2OCCN)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations