Geometry & MOs

Info

ID:	340892
PubChem CID:	127263327
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	200.044938
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	3.15
IP(EA), eV:	-7.49(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-(oxetan-3-yl)benzoate

Drug info:

PubChemData

Smile

CC[C@]12CCCN3C1=C4C(CC3)C5=CC=CC=C5N4C(C2)C(=O)OCC

DOS

IR

Vibrations