Geometry & MOs

Info

ID:	120017
PubChem CID:	50711591
Reduced:	ClN4O4C28H37 (1)
Stoich.:	AB4C4D28E37 (1)
Weight, g/mol:	512.255419
ΔH_f, kcal/mol:	-160.68
Dipole, Da:	6.86
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OCC

DOS

IR

Vibrations