Geometry & MOs

Info

ID:

94399

PubChem CID:

50000745

Reduced:

O5N6C44H56 (1)

Stoich.:

A5B6C44D56 (1)

Weight, g/mol:

528.1736

ΔHf, kcal/mol:

-199.39

Dipole, Da:

5.69

IP(EA), eV:

 -8.32(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)C)C

DOS

IR

Vibrations