Geometry & MOs

Info

ID:

444177

PubChem CID:

135261596

Reduced:

FON7H20C28 (1)

Stoich.:

ABC7D20E28 (1)

Weight, g/mol:

590.291786

ΔHf, kcal/mol:

141.67

Dipole, Da:

8.42

IP(EA), eV:

 -8.6(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations