Geometry & MOs

Info

ID:	28182
PubChem CID:	826090
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	5.63
IP(EA), eV:	-9.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-tert-butylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(C)(C)C)C(=O)O

DOS

IR

Vibrations