Geometry & MOs

Info

ID:	202589
PubChem CID:	79694160
Reduced:	NO4C10H19 (1)
Stoich.:	AB4C10D19 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	-171.65
Dipole, Da:	3.56
IP(EA), eV:	-9.24(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(3-methylazetidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)N1CC(C1)(OC)OC

DOS

IR

Vibrations