Geometry & MOs

Info

ID:	337379
PubChem CID:	127257064
Reduced:	NO2Cl3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	392.153621
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	4.9
IP(EA), eV:	-9.82(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2S)-4-(4-fluorophenyl)pyrrolidin-2-yl]-3-oxopropyl] quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCCC(Cl)(Cl)Cl

DOS

IR

Vibrations