Geometry & MOs

Info

ID:	94402
PubChem CID:	50000790
Reduced:	BrO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	6.33
IP(EA), eV:	-8.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations