Geometry & MOs

Info

ID:	399811
PubChem CID:	135042886
Reduced:	NSn2F3H4C10 (1)
Stoich.:	AB2C3D4E10 (1)
Weight, g/mol:	283.110296
ΔH_f, kcal/mol:	4.44
Dipole, Da:	5.92
IP(EA), eV:	-8.07(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)/C(=C(\C(F)(F)F)/[Sn+])/[Sn+]

DOS

IR

Vibrations