Geometry & MOs

Info

ID:	163069
PubChem CID:	57588034
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	553.270735
ΔH_f, kcal/mol:	-192.45
Dipole, Da:	4.99
IP(EA), eV:	-9.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2S)-2-(3-chlorophenyl)-2-[(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)amino]ethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC2(CC1)C3=CC=CC=C3CO2

DOS

IR

Vibrations