Geometry & MOs

Info

ID:	179082
PubChem CID:	76430749
Reduced:	ClSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	459.268591
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	2.97
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(CN1CC3=CC=C(S3)Cl)C(=O)NC(C2=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations