Geometry & MOs

Info

ID:	95592
PubChem CID:	50010575
Reduced:	ClO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	528.1736
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	8.25
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations