Geometry & MOs

Info

ID:	76500
PubChem CID:	48425006
Reduced:	F3N3O3C17H24 (1)
Stoich.:	A3B3C3D17E24 (1)
Weight, g/mol:	414.15149
ΔH_f, kcal/mol:	-240.3
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations