Geometry & MOs

Info

ID:

106142

PubChem CID:

50150692

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

506.325691

ΔHf, kcal/mol:

-249.62

Dipole, Da:

6.38

IP(EA), eV:

 -8.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations