Geometry & MOs

Info

ID:	287347
PubChem CID:	104238019
Reduced:	BrClFO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	254.107358
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	4.83
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(2-ethylbutoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC2=C(C(=CC=C2)F)Br)Cl

DOS

IR

Vibrations