Geometry & MOs

Info

ID:	207851
PubChem CID:	80461371
Reduced:	BrFNOSC15H17 (1)
Stoich.:	ABCDEF15G17 (1)
Weight, g/mol:	254.095437
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	5.33
IP(EA), eV:	-8.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-fluoro-6-methoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CS1)Br)C2=C(C=CC=C2F)OC

DOS

IR

Vibrations