Geometry & MOs

Info

ID:	234492
PubChem CID:	92298549
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	4.56
IP(EA), eV:	-9.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-fluorophenyl)methyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@H]1C(=O)O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations