Geometry & MOs

Info

ID:	303511
PubChem CID:	124489840
Reduced:	BrNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	258.98441
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	3.17
IP(EA), eV:	-9.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-(4-bromophenyl)-2-nitropropan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations