Geometry & MOs

Info

ID:	295039
PubChem CID:	117512597
Reduced:	BrFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	332.05357
ΔH_f, kcal/mol:	-98.92
Dipole, Da:	2.94
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-6-fluoro-3,4-dimethoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1F)Br)CCN2CCNCC2)O

DOS

IR

Vibrations