Geometry & MOs

Info

ID:	264785
PubChem CID:	103490020
Reduced:	BrIO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	399.09066
ΔH_f, kcal/mol:	-65.62
Dipole, Da:	3.27
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1-ethoxypropan-2-yloxy)-4-iodopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOCC(C)OC(CI)C1=CC=CC=C1Br

DOS

IR

Vibrations