Geometry & MOs

Info

ID:	401739
PubChem CID:	135052388
Reduced:	NO2H6C7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	50.8
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.168653
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-hydroxy-2-[(3-methylpyridin-2-yl)amino]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations