Geometry & MOs

Info

ID:

441211

PubChem CID:

135233629

Reduced:

N5H29C47 (1)

Stoich.:

A5B29C47 (1)

Weight, g/mol:

412.258674

ΔHf, kcal/mol:

285.19

Dipole, Da:

2.87

IP(EA), eV:

 -9.42(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[(Z)-2-amino-4-methyliminobut-2-enoyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)C4=CC=CC(=C4)C5=CC=C(C=C5)C#N)C6=CC=C(C=C6)C7=CC=C(C=C7)C#N)C8=CC=CC=C8

DOS

IR

Vibrations