Geometry & MOs

Info

ID:	200669
PubChem CID:	79425372
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	-140.7
Dipole, Da:	5.2
IP(EA), eV:	-9.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylcyclohexyl)-2-phenylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(CC1C2=CC=CC=C2CCO1)C(=O)O

DOS

IR

Vibrations