Geometry & MOs

Info

ID:	445226
PubChem CID:	135265188
Reduced:	O3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	310.032749
ΔH_f, kcal/mol:	-225.44
Dipole, Da:	11.52
IP(EA), eV:	-11.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dichlorophenyl)-2-(5-ethyl-2-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CC2CC3CCC(CC1C(=O)OC2=O)C(=O)OC3=O

DOS

IR

Vibrations