Geometry & MOs

Info

ID:	201863
PubChem CID:	79593897
Reduced:	BrClSH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	288.01498
ΔH_f, kcal/mol:	49.27
Dipole, Da:	3.19
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-8,9,10,11-tetrahydrocyclohepta[a]naphthalen-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C2=CC=C(C3=CC=CC=C32)Br)Cl

DOS

IR

Vibrations