Geometry & MOs

Info

ID:	427865
PubChem CID:	135164692
Reduced:	BrClN3O3C19H21 (1)
Stoich.:	ABC3D3E19F21 (1)
Weight, g/mol:	395.04
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	2.34
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[5-[(2-bromo-4-chlorophenyl)methoxy]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=C(C=C2)[N+](=O)[O-])OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations