Geometry & MOs

Info

ID:	30404
PubChem CID:	841260
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	286.976755
ΔH_f, kcal/mol:	2.44
Dipole, Da:	7.04
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(4-nitrophenyl)sulfonylpyrazole

Drug info:

PubChemData

Smile

CC/C(=C/C(=O)C1=CN=CC=C1)/NC2=CC=CC(=C2C)C

DOS

IR

Vibrations