Geometry & MOs

Info

ID:

95250

PubChem CID:

50007499

Reduced:

O4N5C27H35 (1)

Stoich.:

A4B5C27D35 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-154.87

Dipole, Da:

6.58

IP(EA), eV:

 -8.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-5-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC(C)C

DOS

IR

Vibrations