Geometry & MOs

Info

ID:

91934

PubChem CID:

49980574

Reduced:

N5O6C31H39 (1)

Stoich.:

A5B6C31D39 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-224.65

Dipole, Da:

6.54

IP(EA), eV:

 -8.5(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations