Geometry & MOs

Info

ID:

47388

PubChem CID:

10532192

Reduced:

Br2N4H30C33 (1)

Stoich.:

A2B4C30D33 (1)

Weight, g/mol:

643.5221

ΔHf, kcal/mol:

89.26

Dipole, Da:

4.41

IP(EA), eV:

 -7.77(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=[N+]2CC3=CC=C(C=C3)CC4=CC=C(C=C4)C[N+]5=CC=C(C6=CC=CC=C65)N)N.[Br-].[Br-]

DOS

IR

Vibrations