Geometry & MOs

Info

ID:	295993
PubChem CID:	117549355
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-60.41
Dipole, Da:	3.47
IP(EA), eV:	-9.73(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[3-(4-methoxy-3-methylphenyl)oxetan-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C(CO1)(C2=CC(=CC=C2)Cl)C(CN)O

DOS

IR

Vibrations