Geometry & MOs

Info

ID:	76440
PubChem CID:	48424929
Reduced:	F3N3O3C19H24 (1)
Stoich.:	A3B3C3D19E24 (1)
Weight, g/mol:	411.213362
ΔH_f, kcal/mol:	-232.28
Dipole, Da:	6.73
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propylindol-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OC2=CC=CC(=C2)C#N

DOS

IR

Vibrations