Geometry & MOs

Info

ID:	90140
PubChem CID:	49966711
Reduced:	ClO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	554.18925
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	8.37
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations