Geometry & MOs

Info

ID:

441252

PubChem CID:

135233825

Reduced:

ON4H26C39 (1)

Stoich.:

AB4C26D39 (1)

Weight, g/mol:

414.299476

ΔHf, kcal/mol:

184.56

Dipole, Da:

0.63

IP(EA), eV:

 -8.23(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-hydroxyhexan-1-one

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8O7)C9=CC=CC=C9

DOS

IR

Vibrations