Geometry & MOs

Info

ID:	76725
PubChem CID:	48425290
Reduced:	SF3N3O3C18H24 (1)
Stoich.:	AB3C3D3E18F24 (1)
Weight, g/mol:	418.255561
ΔH_f, kcal/mol:	-268.01
Dipole, Da:	6.27
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC=CC=C2SCC(=O)N

DOS

IR

Vibrations