Geometry & MOs

Info

ID:	47947
PubChem CID:	10535973
Reduced:	OSN2C9H14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	197.98322
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	3.0
IP(EA), eV:	-9.09(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-hydroxy-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CN[C@H](CC1=CC=CS1)C(=O)NC

DOS

IR

Vibrations