Geometry & MOs

Info

ID:

106368

PubChem CID:

50160510

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-229.54

Dipole, Da:

6.97

IP(EA), eV:

 -8.32(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C)C)C

DOS

IR

Vibrations