Geometry & MOs

Info

ID:	313030
PubChem CID:	126610829
Reduced:	O3C13H21 (2)
Stoich.:	A3B13C21 (2)
Weight, g/mol:	341.139386
ΔH_f, kcal/mol:	-304.87
Dipole, Da:	3.86
IP(EA), eV:	-9.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(4-chlorophenyl)-hydroxymethyl]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(COC(O1)C2=CC=CC=C2)OC(=O)CCCCCCCCC(CCCCCCO)O

DOS

IR

Vibrations