Geometry & MOs

Info

ID:

447906

PubChem CID:

135286707

Reduced:

FON6H17C25 (1)

Stoich.:

ABC6D17E25 (1)

Weight, g/mol:

513.173565

ΔHf, kcal/mol:

129.28

Dipole, Da:

5.28

IP(EA), eV:

 -8.94(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC=C6)F)/NN3

DOS

IR

Vibrations