Geometry & MOs

Info

ID:	76604
PubChem CID:	48425137
Reduced:	F3N3O3C18H32 (1)
Stoich.:	A3B3C3D18E32 (1)
Weight, g/mol:	397.197712
ΔH_f, kcal/mol:	-327.96
Dipole, Da:	4.0
IP(EA), eV:	-8.87(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations