Geometry & MOs

Info

ID:	118003
PubChem CID:	50623953
Reduced:	ClN4O4C26H33 (1)
Stoich.:	AB4C4D26E33 (1)
Weight, g/mol:	514.234683
ΔH_f, kcal/mol:	-147.63
Dipole, Da:	9.19
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3OC)Cl

DOS

IR

Vibrations