Geometry & MOs

Info

ID:	197240
PubChem CID:	78940501
Reduced:	BrNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	257.142722
ΔH_f, kcal/mol:	-121.58
Dipole, Da:	3.39
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N(C)CC(COC)O)Br)O

DOS

IR

Vibrations