Geometry & MOs

Info

ID:	431342
PubChem CID:	135171417
Reduced:	FO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	193.126678
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	3.57
IP(EA), eV:	-8.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-2-fluorophenyl)pyrrolidine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=N/C1=C(C=CC=N1)F)/N

DOS

IR

Vibrations