Geometry & MOs

Info

ID:	277152
PubChem CID:	103827053
Reduced:	BrOCl2N3H6C11 (1)
Stoich.:	ABC2D3E6F11 (1)
Weight, g/mol:	328.98182
ΔH_f, kcal/mol:	36.98
Dipole, Da:	6.63
IP(EA), eV:	-9.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=NN=C1NC(=O)C2=CC(=CC(=C2)Br)Cl)Cl

DOS

IR

Vibrations