Geometry & MOs

Info

ID:	140400
PubChem CID:	52692187
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	470.181727
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	7.16
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-naphthalen-1-yloxyethyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NCCOC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations