Geometry & MOs

Info

ID:	294479
PubChem CID:	117463198
Reduced:	BrFN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	287.074483
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	4.61
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC(=CC(=C2)Br)F)CN

DOS

IR

Vibrations