Geometry & MOs

Info

ID:	294758
PubChem CID:	117488824
Reduced:	BrFN3O3H7C9 (1)
Stoich.:	ABC3D3E7F9 (1)
Weight, g/mol:	302.96548
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	2.03
IP(EA), eV:	-8.73(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-4-bromo-5-fluoro-2-hydroxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C(C(=O)/C(=C/2\NOC(=N2)CN)/C(=C1F)Br)O

DOS

IR

Vibrations