Geometry & MOs

Info

ID:

47387

PubChem CID:

10532152

Reduced:

NO11C32H63 (1)

Stoich.:

AB11C32D63 (1)

Weight, g/mol:

642.08167

ΔHf, kcal/mol:

-518.08

Dipole, Da:

5.49

IP(EA), eV:

 -8.23(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-[[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]methyl]phenyl]methyl]quinolin-1-ium-4-amine;dibromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N(CCCCCCCC)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O

DOS

IR

Vibrations