Geometry & MOs

Info

ID:

3012

PubChem CID:

9042

Reduced:

OCl2N2C15H23 (2)

Stoich.:

AB2C2D15E23 (2)

Weight, g/mol:

636.234537

ΔHf, kcal/mol:

-69.89

Dipole, Da:

17.87

IP(EA), eV:

 -7.61(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethylazaniumyl]propylamino]-2-oxoacetyl]amino]propyl]-diethylazanium;dichloride

Drug info:

PubChemData

Smile

CC[N+](CC)(CCCNC(=O)C(=O)NCCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.[Cl-].[Cl-]

DOS

IR

Vibrations