Geometry & MOs

Info

ID:	1664
PubChem CID:	4842
Reduced:	BrNOC5H8 (2)
Stoich.:	ABCD5E8 (2)
Weight, g/mol:	355.9558
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	0.35
IP(EA), eV:	-9.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCBr)C(=O)CCBr

DOS

IR

Vibrations