Geometry & MOs

Info

ID:	295925
PubChem CID:	117547624
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-140.41
Dipole, Da:	6.61
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[3-(4-propan-2-ylphenyl)oxetan-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC1(COC1)C2=CC=C(C=C2)OC)C(=O)O

DOS

IR

Vibrations