Geometry & MOs

Info

ID:	76633
PubChem CID:	48425172
Reduced:	F3N3O3C19H24 (1)
Stoich.:	A3B3C3D19E24 (1)
Weight, g/mol:	380.203525
ΔH_f, kcal/mol:	-234.28
Dipole, Da:	6.19
IP(EA), eV:	-9.07(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations