Geometry & MOs

Info

ID:	66158
PubChem CID:	46500338
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	333.118552
ΔH_f, kcal/mol:	51.47
Dipole, Da:	3.14
IP(EA), eV:	-8.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CN/N=C(/C2=NON=C2N)\N)C=C(C1=O)C(C)(C)C

DOS

IR

Vibrations