Geometry & MOs

Info

ID:	146943
PubChem CID:	53775299
Reduced:	NO5H25C27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	409.065176
ΔH_f, kcal/mol:	-125.07
Dipole, Da:	2.16
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations