Geometry & MOs

Info

ID:	373441
PubChem CID:	131315359
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	323.01824
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	3.4
IP(EA), eV:	-9.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(2-fluoro-5-iodophenyl)-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=C(C=C(O2)Br)C(=O)C1

DOS

IR

Vibrations