Geometry & MOs

Info

ID:	282105
PubChem CID:	103916129
Reduced:	BrNO3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	326.166414
ΔH_f, kcal/mol:	-145.49
Dipole, Da:	1.93
IP(EA), eV:	-9.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)OC(C)(C)C)OCC2=CC=CC=C2Br

DOS

IR

Vibrations