Geometry & MOs

Info

ID:

447920

PubChem CID:

135286825

Reduced:

FON9H32C33 (1)

Stoich.:

ABC9D32E33 (1)

Weight, g/mol:

552.185607

ΔHf, kcal/mol:

121.05

Dipole, Da:

3.72

IP(EA), eV:

 -8.41(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCC7)/C=C23)F

DOS

IR

Vibrations