Geometry & MOs

Info

ID:	324327
PubChem CID:	126677437
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	510.272987
ΔH_f, kcal/mol:	27.29
Dipole, Da:	5.53
IP(EA), eV:	-9.51(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,4R)-4-[3-(2-methoxyethoxy)phenyl]-2-methyl-3-[(3-oxo-1,2-dihydroisoindol-5-yl)oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CC(CC1C3[C@@H]2CC3)C#N

DOS

IR

Vibrations