Geometry & MOs

Info

ID:	295920
PubChem CID:	117547502
Reduced:	ClO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	2.06
IP(EA), eV:	-9.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(3-phenyloxetan-3-yl)butanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)C1(COC1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations