Geometry & MOs

Info

ID:	26419
PubChem CID:	647280
Reduced:	FSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	194.084398
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	2.65
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-naphthalen-1-ylpyrazole

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC3=C2C=CC(=C3)F)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations