Geometry & MOs

Info

ID:	295041
PubChem CID:	117512605
Reduced:	BrFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	332.03581
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	2.35
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1CN2CCNCC2)F)OC)Br

DOS

IR

Vibrations