Geometry & MOs

Info

ID:	289492
PubChem CID:	104358027
Reduced:	BrClN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	287.9665
ΔH_f, kcal/mol:	55.64
Dipole, Da:	4.45
IP(EA), eV:	-9.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-yl)-3-bromo-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations