Geometry & MOs

Info

ID:	872
PubChem CID:	3463
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-150.61
Dipole, Da:	1.17
IP(EA), eV:	-8.51(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O

DOS

IR

Vibrations