Geometry & MOs

Info

ID:	27818
PubChem CID:	823708
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	340.088415
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	8.41
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2-fluorophenyl)-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C=C2)OC

DOS

IR

Vibrations