Geometry & MOs

Info

ID:	338223
PubChem CID:	127258915
Reduced:	O2C9H14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-203.49
Dipole, Da:	2.71
IP(EA), eV:	-8.66(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethyl-4-propanoylphenoxy)-2,2-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C1=C(C=C(C(=C1)C)OCCCC(C)(C)C(=O)O)C)O

DOS

IR

Vibrations