Geometry & MOs

Info

ID:	199828
PubChem CID:	79303149
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-177.98
Dipole, Da:	5.57
IP(EA), eV:	-10.28(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2,4-dimethyl-3-phenylpentanoic acid

Drug info:

PubChemData

Smile

CC1CCCCC1C(C(C)C)(C(=O)O)O

DOS

IR

Vibrations