Geometry & MOs

Info

ID:	293102
PubChem CID:	117373990
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	6.44
IP(EA), eV:	-8.61(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[2-(oxan-4-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)OC(CC2)(C)C)C(=O)O

DOS

IR

Vibrations