Geometry & MOs

Info

ID:	295986
PubChem CID:	117549254
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	255.090686
ΔH_f, kcal/mol:	-157.77
Dipole, Da:	5.72
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[3-(5-fluoro-2-methoxyphenyl)oxetan-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3(COC3)C(C(=O)O)N

DOS

IR

Vibrations