Geometry & MOs

Info

ID:	374258
PubChem CID:	131325901
Reduced:	BrNO3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	346.89551
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	5.44
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,6-dibromophenyl)-3,3,3-trifluoropropan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations