Geometry & MOs

Info

ID:	294267
PubChem CID:	117446934
Reduced:	ClN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	278.154976
ΔH_f, kcal/mol:	-29.21
Dipole, Da:	4.08
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

C1CC2(C1)OC3=C(O2)C=C(C(=C3)C4=C(ON=C4)N)Cl

DOS

IR

Vibrations