Geometry & MOs

Info

ID:

94401

PubChem CID:

50000774

Reduced:

N6O6C43H54 (1)

Stoich.:

A6B6C43D54 (1)

Weight, g/mol:

528.1736

ΔHf, kcal/mol:

-233.14

Dipole, Da:

13.64

IP(EA), eV:

 -8.4(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-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=CC(=C5)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations