Geometry & MOs

Info

ID:	76473
PubChem CID:	48424967
Reduced:	N2F3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	407.239576
ΔH_f, kcal/mol:	-271.93
Dipole, Da:	5.78
IP(EA), eV:	-8.87(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations