Geometry & MOs

Info

ID:	10790
PubChem CID:	107975
Reduced:	ClN6O6H13C14 (1)
Stoich.:	AB6C6D13E14 (1)
Weight, g/mol:	396.05851
ΔH_f, kcal/mol:	23.35
Dipole, Da:	7.04
IP(EA), eV:	-8.98(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine;hydrochloride

Drug info:

PubChemData

Smile

C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-].Cl

DOS

IR

Vibrations