Geometry & MOs

Info

ID:	243618
PubChem CID:	99233420
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	452.267508
ΔH_f, kcal/mol:	10.36
Dipole, Da:	2.75
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations