Geometry & MOs

Info

ID:	292665
PubChem CID:	117356644
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-58.55
Dipole, Da:	4.2
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-2-fluoro-5,6-dimethylphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2CCCCN2)Cl)F

DOS

IR

Vibrations