Geometry & MOs

Info

ID:	76611
PubChem CID:	48425145
Reduced:	O2F3N6C12H19 (1)
Stoich.:	A2B3C6D12E19 (1)
Weight, g/mol:	375.143962
ΔH_f, kcal/mol:	-166.06
Dipole, Da:	7.99
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CN2C=NN=N2

DOS

IR

Vibrations