Geometry & MOs

Info

ID:	293098
PubChem CID:	117373877
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-119.35
Dipole, Da:	5.7
IP(EA), eV:	-8.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[4-(oxolan-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C2(CCC2)C(=O)O)OC

DOS

IR

Vibrations