Geometry & MOs

Info

ID:	76538
PubChem CID:	48425056
Reduced:	O2F3N4C20H31 (1)
Stoich.:	A2B3C4D20E31 (1)
Weight, g/mol:	377.138483
ΔH_f, kcal/mol:	-211.67
Dipole, Da:	6.34
IP(EA), eV:	-9.04(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-ylsulfanyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations