Geometry & MOs

Info

ID:	274033
PubChem CID:	103806601
Reduced:	OSBr2N3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	343.06955
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	8.28
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCN1CCNCC1)C(=O)C2=C(SC(=C2)Br)Br

DOS

IR

Vibrations