Geometry & MOs

Info

ID:	322323
PubChem CID:	126669739
Reduced:	F3N3O5C26H26 (1)
Stoich.:	A3B3C5D26E26 (1)
Weight, g/mol:	193.126678
ΔH_f, kcal/mol:	-288.09
Dipole, Da:	4.62
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-4-fluorophenyl)pyrrolidine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)COC2=CC=CC=C2CNC(=O)NC3=C(C=CC(=C3)OC(F)(F)F)OC

DOS

IR

Vibrations