Geometry & MOs

Info

ID:

92492

PubChem CID:

49987284

Reduced:

N5O5C36H49 (1)

Stoich.:

A5B5C36D49 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-223.75

Dipole, Da:

7.93

IP(EA), eV:

 -8.85(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[5-(diethylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations