Geometry & MOs

Info

ID:	371874
PubChem CID:	131276599
Reduced:	BrNSO2C8H10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	286.04809
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	6.7
IP(EA), eV:	-9.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(bromomethyl)-5-fluorophenyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)CS(=O)(=O)C

DOS

IR

Vibrations