Geometry & MOs

Info

ID:	233529
PubChem CID:	91145296
Reduced:	FNCl2O4H16C20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	288.01612
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	2.39
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-2-(3-fluorophenyl)butanoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CC(=C(C=C3)Cl)Cl)F)O)C(C)C(=O)OC

DOS

IR

Vibrations