Geometry & MOs

Info

ID:	206118
PubChem CID:	80207557
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	289.98732
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	3.22
IP(EA), eV:	-9.86(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromocyclohexyl)-4-chloro-2-fluorobenzene

Drug info:

PubChemData

Smile

C1COCCC1C(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations