Geometry & MOs

Info

ID:	314649
PubChem CID:	126622549
Reduced:	NF2O2H5C6 (2)
Stoich.:	AB2C2D5E6 (2)
Weight, g/mol:	322.057669
ΔH_f, kcal/mol:	-334.27
Dipole, Da:	4.68
IP(EA), eV:	-9.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@@H]1C(=O)NC2=C(C(=CC=C2)OC(F)(F)F)F)C(=O)O

DOS

IR

Vibrations