Geometry & MOs

Info

ID:	76776
PubChem CID:	48425364
Reduced:	F3N3O3C20H28 (1)
Stoich.:	A3B3C3D20E28 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-285.82
Dipole, Da:	0.93
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations