Geometry & MOs

Info

ID:

112815

PubChem CID:

50421260

Reduced:

BrO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-184.34

Dipole, Da:

6.4

IP(EA), eV:

 -9.19(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Br)C

DOS

IR

Vibrations