Geometry & MOs

Info

ID:	59936
PubChem CID:	24902551
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	365.100556
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	2.06
IP(EA), eV:	-9.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-chloro-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)COC2=NC=CC=N2

DOS

IR

Vibrations