Geometry & MOs

Info

ID:	293001
PubChem CID:	117369668
Reduced:	NF4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	247.098412
ΔH_f, kcal/mol:	-176.54
Dipole, Da:	2.18
IP(EA), eV:	-9.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

C1CC(C1)(CN)C2=C(C=CC=C2F)C(F)(F)F

DOS

IR

Vibrations