Geometry & MOs

Info

ID:	208477
PubChem CID:	80533919
Reduced:	NS2Br3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	434.93263
ΔH_f, kcal/mol:	75.22
Dipole, Da:	2.69
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-2-yl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(S1)Br)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations