Geometry & MOs

Info

ID:	371914
PubChem CID:	131279811
Reduced:	BrN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	230.04582
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	5.15
IP(EA), eV:	-9.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(2-chloro-4-nitrophenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1COC2=C(C=CC(=C2[C@H]1N)Br)[N+](=O)[O-]

DOS

IR

Vibrations