Geometry & MOs

Info

ID:	147791
PubChem CID:	53787449
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	415.100698
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	5.05
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-phenylpiperidin-4-one

Drug info:

PubChemData

Smile

CN(C(=O)CCCCOC[C@@H]1[C@@H]2CC[C@H]([C@@H]1COC3=CC=CC=C3)O2)O

DOS

IR

Vibrations