Geometry & MOs

Info

ID:	372212
PubChem CID:	131294389
Reduced:	N2O2F3H7C9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	224.05972
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	2.69
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-2H-1,2-oxazol-5-ylidene)-2-fluoro-6-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=COC(=C1CC2=CON=C2C(F)(F)F)N

DOS

IR

Vibrations