Geometry & MOs

Info

ID:	456
PubChem CID:	2787
Reduced:	O3C14H18 (2)
Stoich.:	A3B14C18 (2)
Weight, g/mol:	468.251189
ΔH_f, kcal/mol:	-252.5
Dipole, Da:	7.78
IP(EA), eV:	-9.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[4-(2-carboxybutan-2-yloxy)phenyl]cyclohexyl]phenoxy]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O

DOS

IR

Vibrations