Geometry & MOs

Info

ID:

309292

PubChem CID:

126542688

Reduced:

N3O4C20H24 (2)

Stoich.:

A3B4C20D24 (2)

Weight, g/mol:

1091.638747

ΔHf, kcal/mol:

-299.17

Dipole, Da:

1.43

IP(EA), eV:

 -8.98(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[6-[[8-(dimethylamino)-1,7-dimethyl-10-phenyl-10aH-phenazin-2-yl]amino]hexyl]-4-[4-[6-[[8-(dimethylamino)-1,7-dimethyl-10-phenylphenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C=C3)C4=C(C=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)OC(C)(C)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations