Geometry & MOs

Info

ID:	125968
PubChem CID:	50946099
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	409.202637
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	3.38
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)CC)N3CCN(CC3)C(=O)OCC

DOS

IR

Vibrations