Geometry & MOs

Info

ID:	225211
PubChem CID:	85747943
Reduced:	BrNOSeC16H22 (1)
Stoich.:	ABCDE16F22 (1)
Weight, g/mol:	374.9737
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	4.23
IP(EA), eV:	-8.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-8-phenylselanyl-2-azoniabicyclo[3.3.1]non-2-ene;bromide

Drug info:

PubChemData

Smile

C1CCC2(CCCC=[N+]2O)C(C1)[Se]C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations