Geometry & MOs

Info

ID:	89762
PubChem CID:	49964410
Reduced:	ClON2H5C6 (3)
Stoich.:	ABC2D5E6 (3)
Weight, g/mol:	508.08585
ΔH_f, kcal/mol:	53.41
Dipole, Da:	2.14
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(E)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/N=C(\C2=NON=C2N)/N)COC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations