Geometry & MOs

Info

ID:	294914
PubChem CID:	117505095
Reduced:	BrFO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	320.03358
ΔH_f, kcal/mol:	-193.18
Dipole, Da:	2.33
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3,5-difluoro-4-(2-piperazin-1-ylethyl)phenol

Drug info:

PubChemData

Smile

CC(CC1=C(C(=C(C=C1F)Br)OC)OC)C(=O)O

DOS

IR

Vibrations