Geometry & MOs

Info

ID:	7079
PubChem CID:	71170
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	5.61
IP(EA), eV:	-9.6(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-4-phenylcyclohexyl)butanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)C1(CCC(CC1)C2=CC=CC=C2)O

DOS

IR

Vibrations