Geometry & MOs

Info

ID:	188762
PubChem CID:	77762491
Reduced:	ClN2O7C36H43 (1)
Stoich.:	AB2C7D36E43 (1)
Weight, g/mol:	410.188482
ΔH_f, kcal/mol:	-292.46
Dipole, Da:	5.04
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-chloro-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CC1C2=C(C=CC(=C2)Cl)N(C(=O)C(O1)CC(=O)NC3=CC4=CC=CC=C4C(=C3)C(=O)OCC)CC(C)(C)COC(=O)C

DOS

IR

Vibrations