Geometry & MOs

Info

ID:

2138

PubChem CID:

5967

Reduced:

ClO2N5C13H19 (2)

Stoich.:

AB2C5D13E19 (2)

Weight, g/mol:

624.245455

ΔHf, kcal/mol:

-123.72

Dipole, Da:

8.54

IP(EA), eV:

 -8.9(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl

DOS

IR

Vibrations