Geometry & MOs

Info

ID:	282106
PubChem CID:	103916140
Reduced:	SN2O3C16H26 (1)
Stoich.:	AB2C3D16E26 (1)
Weight, g/mol:	325.186478
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	2.9
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-ethyl-3-(4,4,4-trifluorobutoxy)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)OC(C)(C)C)OCC2=NC(=CS2)C

DOS

IR

Vibrations