Geometry & MOs

Info

ID:	226189
PubChem CID:	87349894
Reduced:	BrNZnC6H6 (1)
Stoich.:	ABCD6E6 (1)
Weight, g/mol:	317.040596
ΔH_f, kcal/mol:	52.38
Dipole, Da:	4.88
IP(EA), eV:	-7.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)Br.[Zn]

DOS

IR

Vibrations