Geometry & MOs

Info

ID:	309994
PubChem CID:	126572546
Reduced:	BrN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	5.58
IP(EA), eV:	-9.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-3-(2-propan-2-yloxypropylamino)phenyl]-1,3-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

CC(C)OCC(C)NC1=C(C=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations