Geometry & MOs

Info

ID:	293557
PubChem CID:	117392979
Reduced:	ClFNC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	255.119005
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	1.89
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-2-fluoro-5-propan-2-ylphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)Cl)C2(CCCCC2)CN

DOS

IR

Vibrations