Geometry & MOs

Info

ID:	163061
PubChem CID:	57588020
Reduced:	ClN2O6C27H29 (1)
Stoich.:	AB2C6D27E29 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-199.32
Dipole, Da:	8.44
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-hydroxypiperidin-1-yl)-2-[(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)amino]-2-phenylethanone

Drug info:

PubChemData

Smile

COC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(CC(=O)N2CCC3(CC2)C4=CC=CC=C4CO3)C(=O)OCC=C

DOS

IR

Vibrations