Geometry & MOs

Info

ID:

447944

PubChem CID:

135287053

Reduced:

FON6H21C31 (1)

Stoich.:

ABC6D21E31 (1)

Weight, g/mol:

511.204448

ΔHf, kcal/mol:

158.13

Dipole, Da:

6.75

IP(EA), eV:

 -8.88(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations