Geometry & MOs

Info

ID:

132579

PubChem CID:

51382711

Reduced:

O2C15H19 (1)

Stoich.:

A2B15C19 (1)

Weight, g/mol:

232.14633

ΔHf, kcal/mol:

-70.25

Dipole, Da:

0.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755936

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-cyclohexyl-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](CC2=CC=CC=C2)C(=O)[O-]

DOS

IR

Vibrations