Geometry & MOs

Info

ID:	184579
PubChem CID:	77178867
Reduced:	SN4O4C32H46 (1)
Stoich.:	AB4C4D32E46 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	7.39
IP(EA), eV:	-8.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine

Drug info:

PubChemData

Smile

CC(C1NC2CCC(CC2C(=O)N1C3=CC=C(C=C3)OC)N4CCCC4)N(C)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations