Geometry & MOs

Info

ID:	295040
PubChem CID:	117512598
Reduced:	BrFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	332.05357
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	4.26
IP(EA), eV:	-7.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)Br)CN2CCNCC2)F

DOS

IR

Vibrations