Geometry & MOs

Info

ID:	277180
PubChem CID:	103827178
Reduced:	BrClO2N3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	342.99747
ΔH_f, kcal/mol:	-70.83
Dipole, Da:	1.63
IP(EA), eV:	-9.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Br)C(=O)NCCNC(=O)N

DOS

IR

Vibrations