Geometry & MOs

Info

ID:	144298
PubChem CID:	53346599
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	1.54
IP(EA), eV:	-9.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(azetidin-3-yl)-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(C1CNC1)C(=O)OCC2=CC=CC=C2.Cl

DOS

IR

Vibrations