Geometry & MOs

Info

ID:	66157
PubChem CID:	46500336
Reduced:	FON6H9C10 (1)
Stoich.:	ABC6D9E10 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	81.4
Dipole, Da:	1.9
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations