Geometry & MOs

Info

ID:	295987
PubChem CID:	117549266
Reduced:	FNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-169.91
Dipole, Da:	6.45
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[3-(2-methoxy-5-methylphenyl)oxetan-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C2(COC2)C(C(=O)O)N

DOS

IR

Vibrations