Geometry & MOs

Info

ID:	322211
PubChem CID:	126669222
Reduced:	NO6C7H9 (1)
Stoich.:	AB6C7D9 (1)
Weight, g/mol:	492.197984
ΔH_f, kcal/mol:	-210.58
Dipole, Da:	6.94
IP(EA), eV:	-10.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-tert-butylphenyl)-1-(2-chloro-6-fluorobenzoyl)-2-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C(=O)CC1OC(=CC(=O)O1)O)O

DOS

IR

Vibrations