Geometry & MOs

Info

ID:	226810
PubChem CID:	87558442
Reduced:	FCl2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	336.098015
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	2.77
IP(EA), eV:	-11.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC(F)(Cl)Cl

DOS

IR

Vibrations