Geometry & MOs

Info

ID:	287855
PubChem CID:	104296492
Reduced:	BrOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	409.87986
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	4.03
IP(EA), eV:	-9.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-1-benzothiophen-3-yl)-(4-bromo-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CCCC2)Br

DOS

IR

Vibrations