Geometry & MOs

Info

ID:	139524
PubChem CID:	52548693
Reduced:	F3N3O4C23H24 (1)
Stoich.:	A3B3C4D23E24 (1)
Weight, g/mol:	376.15537
ΔH_f, kcal/mol:	-271.22
Dipole, Da:	9.04
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-chlorophenyl)-2-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2[C@@H](CC(=O)NC3=CC=CC=C32)C(F)(F)F

DOS

IR

Vibrations