Geometry & MOs

Info

ID:	76741
PubChem CID:	48425313
Reduced:	SO2F3N3C18H22 (1)
Stoich.:	AB2C3D3E18F22 (1)
Weight, g/mol:	409.218841
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	3.09
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations