Geometry & MOs

Info

ID:	201854
PubChem CID:	79593461
Reduced:	FOBr2H9C17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	355.98705
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	1.49
IP(EA), eV:	-9.39(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromonaphthalen-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)C3=CC(=CC(=C3)Br)F

DOS

IR

Vibrations