Geometry & MOs

Info

ID:	295924
PubChem CID:	117547614
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-87.84
Dipole, Da:	5.01
IP(EA), eV:	-10.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenyl)oxetan-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations