Geometry & MOs

Info

ID:	436015
PubChem CID:	135193369
Reduced:	F2C27H42 (1)
Stoich.:	A2B27C42 (1)
Weight, g/mol:	288.168957
ΔH_f, kcal/mol:	-160.08
Dipole, Da:	2.37
IP(EA), eV:	-9.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethylphenyl)ethyl]-2,3-difluoro-4-propylbenzene

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=C(C=C1)CCC2CCC(CC2)C3CCC(CC3)CC)F)F

DOS

IR

Vibrations