Geometry & MOs

Info

ID:	372128
PubChem CID:	131293513
Reduced:	ClFNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	282.98196
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	2.58
IP(EA), eV:	-9.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-aminoethyl]-6-bromo-3-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1CC(C1)[C@H](C2=C(C=CC(=C2O)F)Cl)N

DOS

IR

Vibrations