Geometry & MOs

Info

ID:	83735
PubChem CID:	49860778
Reduced:	ClON8H25C32 (1)
Stoich.:	ABC8D25E32 (1)
Weight, g/mol:	379.177503
ΔH_f, kcal/mol:	143.61
Dipole, Da:	5.79
IP(EA), eV:	-8.81(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[amino-(3-naphthalen-2-yloxypropoxyamino)methylidene]-2-propan-2-ylguanidine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=N)N)C6=NC7=C(N6)C=C(C=C7)C(=N)N.Cl

DOS

IR

Vibrations