Geometry & MOs

Info

ID:

308723

PubChem CID:

126522419

Reduced:

OSN6H16C23 (1)

Stoich.:

ABC6D16E23 (1)

Weight, g/mol:

477.202556

ΔHf, kcal/mol:

187.21

Dipole, Da:

5.05

IP(EA), eV:

 -8.71(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CSC=C6)/NN3

DOS

IR

Vibrations