Geometry & MOs

Info

ID:

447892

PubChem CID:

135286615

Reduced:

FO2N7H22C28 (1)

Stoich.:

AB2C7D22E28 (1)

Weight, g/mol:

455.132843

ΔHf, kcal/mol:

62.77

Dipole, Da:

9.9

IP(EA), eV:

 -8.94(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)O)/NN3

DOS

IR

Vibrations