Geometry & MOs

Info

ID:	176807
PubChem CID:	76101747
Reduced:	NO6C25H27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	504.338335
ΔH_f, kcal/mol:	-197.37
Dipole, Da:	4.9
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=C2CCC3=C2OC4CC(CCC4C3=O)NC(=O)C=CC(=O)O

DOS

IR

Vibrations