Geometry & MOs

Info

ID:	189287
PubChem CID:	77838614
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	500.310202
ΔH_f, kcal/mol:	-98.44
Dipole, Da:	1.93
IP(EA), eV:	-9.35(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-4-ethyl-2-fluoro-6-[4-(3-fluoro-4-pentoxyphenyl)phenyl]hexanoic acid

Drug info:

PubChemData

Smile

CN1CCCC1(C(=O)N)O

DOS

IR

Vibrations