Geometry & MOs

Info

ID:

3249

PubChem CID:

9393

Reduced:

ClON2C17H25 (2)

Stoich.:

ABC2D17E25 (2)

Weight, g/mol:

616.331082

ΔHf, kcal/mol:

-53.69

Dipole, Da:

23.41

IP(EA), eV:

 -8.03(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium;dichloride

Drug info:

PubChemData

Smile

CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-].[Cl-]

DOS

IR

Vibrations