Geometry & MOs

Info

ID:	424445
PubChem CID:	135122703
Reduced:	O2F3N3C11H12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-174.32
Dipole, Da:	3.33
IP(EA), eV:	-9.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylmethoxyethyl)azetidine-3,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)N1OC)C2=NC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations