Geometry & MOs

Info

ID:	76656
PubChem CID:	48425200
Reduced:	SN2O2F3C19H27 (1)
Stoich.:	AB2C2D3E19F27 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-236.2
Dipole, Da:	4.46
IP(EA), eV:	-8.4(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCCSC2=CC=CC=C2

DOS

IR

Vibrations