Geometry & MOs

Info

ID:	76651
PubChem CID:	48425194
Reduced:	SF3O3N4C16H21 (1)
Stoich.:	AB3C3D4E16F21 (1)
Weight, g/mol:	379.208276
ΔH_f, kcal/mol:	-252.7
Dipole, Da:	8.52
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CN=C3N(C2=O)CCS3

DOS

IR

Vibrations