Geometry & MOs

Info

ID:	76654
PubChem CID:	48425197
Reduced:	O2S2F3N3C17H20 (1)
Stoich.:	A2B2C3D3E17F20 (1)
Weight, g/mol:	398.145342
ΔH_f, kcal/mol:	-178.16
Dipole, Da:	7.62
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]chromen-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CSC(=N2)C3=CC=CS3

DOS

IR

Vibrations