Geometry & MOs

Info

ID:	441471
PubChem CID:	135235170
Reduced:	O2F4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	289.091435
ΔH_f, kcal/mol:	-183.64
Dipole, Da:	1.81
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-[3-fluoro-4-(methyliminomethyl)phenyl]phenyl] acetate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\F)/C1=CC(=C(C=C1)OCOC2=C(C=C(C=C2)C3=CC=C(C=C3)F)F)F

DOS

IR

Vibrations