Geometry & MOs

Info

ID:	402
PubChem CID:	2713
Reduced:	ClN5C11H15 (2)
Stoich.:	AB5C11D15 (2)
Weight, g/mol:	504.203196
ΔH_f, kcal/mol:	83.61
Dipole, Da:	2.86
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations