Geometry & MOs

Info

ID:	243303
PubChem CID:	99218259
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	485.208134
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	2.8
IP(EA), eV:	-9.17(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-butyl-N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN([C@@H]1CCC2=CC=CC=C2C1)C(=O)CCOC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations