Geometry & MOs

Info

ID:

444716

PubChem CID:

135263329

Reduced:

ClN4O10C65H73 (1)

Stoich.:

AB4C10D65E73 (1)

Weight, g/mol:

529.30529

ΔHf, kcal/mol:

-371.2

Dipole, Da:

6.41

IP(EA), eV:

 -8.6(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4-acetylpiperidin-1-yl)pyrimidin-5-yl]-N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46.C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl

DOS

IR

Vibrations