Geometry & MOs

Info

ID:	209488
PubChem CID:	80678453
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	325.04775
ΔH_f, kcal/mol:	-57.17
Dipole, Da:	1.2
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CC1Br)C(=O)C2CC3=CC=CC=C3O2

DOS

IR

Vibrations