Geometry & MOs

Info

ID:	282108
PubChem CID:	103916143
Reduced:	BrNO4C16H24 (1)
Stoich.:	ABC4D16E24 (1)
Weight, g/mol:	335.176644
ΔH_f, kcal/mol:	-172.46
Dipole, Da:	2.83
IP(EA), eV:	-9.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-ethyl-3-(3-methylsulfonylpropoxy)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)OC(C)(C)C)OCC2=CC=C(O2)Br

DOS

IR

Vibrations