Geometry & MOs

Info

ID:	246214
PubChem CID:	103049899
Reduced:	ClFN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	261.048733
ΔH_f, kcal/mol:	35.63
Dipole, Da:	3.83
IP(EA), eV:	-9.59(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC1NCC2=NC=NN2CC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations