Geometry & MOs

Info

ID:

436651

PubChem CID:

135206606

Reduced:

ClO4N7C44H60 (1)

Stoich.:

AB4C7D44E60 (1)

Weight, g/mol:

426.11542

ΔHf, kcal/mol:

-139.11

Dipole, Da:

7.8

IP(EA), eV:

 -8.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2-formylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C(=NC(=C2C3=CC4=C(CN(CC4)C5=NC=CC(=N5)N6CCOCC6)C=C3)CN7CCC8(CCC8)CC7)Cl)C(C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations