Geometry & MOs

Info

ID:	371703
PubChem CID:	131270739
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	3.57
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-6-[(2R)-piperazin-2-yl]phenol

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=CC=C1)SC(=C2Br)O

DOS

IR

Vibrations