Geometry & MOs

Info

ID:	76479
PubChem CID:	48424979
Reduced:	F3N3O3C16H28 (1)
Stoich.:	A3B3C3D16E28 (1)
Weight, g/mol:	393.223926
ΔH_f, kcal/mol:	-322.02
Dipole, Da:	5.09
IP(EA), eV:	-8.83(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)NC(=O)C

DOS

IR

Vibrations