Geometry & MOs

Info

ID:

435025

PubChem CID:

135177828

Reduced:

O17C79H108 (1)

Stoich.:

A17B79C108 (1)

Weight, g/mol:

434.217872

ΔHf, kcal/mol:

-738.21

Dipole, Da:

7.46

IP(EA), eV:

 -8.38(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-(3-methoxypyridin-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OCC(COC1=CC2=C(C=C1)C=CC(=C2CC3=C(C=CC4=C3C=C(C=C4)OCC(CCC(=O)C5=CC=C(C=C5)OCCCCCC)O)OCC(COCCC(=O)C6=CC=C(C=C6)OCCCCCCC)O)OCC(COC(=O)CCCCCCC)O)O

DOS

IR

Vibrations