Geometry & MOs

Info

ID:	153683
PubChem CID:	56312974
Reduced:	SF3N3O3C21H26 (1)
Stoich.:	AB3C3D3E21F26 (1)
Weight, g/mol:	409.172559
ΔH_f, kcal/mol:	-241.96
Dipole, Da:	5.39
IP(EA), eV:	-8.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=NC(=CS2)CN3CCCCC3)OCC(F)(F)F

DOS

IR

Vibrations