Geometry & MOs

Info

ID:	76488
PubChem CID:	48424992
Reduced:	N2F3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	413.192626
ΔH_f, kcal/mol:	-246.64
Dipole, Da:	1.68
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethoxy-1H-indol-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations