Geometry & MOs

Info

ID:	76580
PubChem CID:	48425113
Reduced:	F3N3O3C17H28 (1)
Stoich.:	A3B3C3D17E28 (1)
Weight, g/mol:	391.208276
ΔH_f, kcal/mol:	-312.78
Dipole, Da:	6.55
IP(EA), eV:	-8.99(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations