Geometry & MOs

Info

ID:	137963
PubChem CID:	52292357
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	443.203191
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	8.53
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C(=O)NCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations