Geometry & MOs

Info

ID:

308976

PubChem CID:

126533352

Reduced:

OSN7H23C26 (1)

Stoich.:

ABC7D23E26 (1)

Weight, g/mol:

508.212393

ΔHf, kcal/mol:

181.63

Dipole, Da:

6.89

IP(EA), eV:

 -8.68(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyl-N-[[5-[(3E)-3-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CSC=C6)N=C2

DOS

IR

Vibrations