Geometry & MOs

Info

ID:	374746
PubChem CID:	131342594
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	296.99761
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	6.43
IP(EA), eV:	-9.76(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-amino-1-[2-bromo-4-(trifluoromethyl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C(C1)C(=CC(=C2)[N+](=O)[O-])O)N

DOS

IR

Vibrations