Geometry & MOs

Info

ID:

308691

PubChem CID:

126522387

Reduced:

ON9H23C27 (1)

Stoich.:

AB9C23D27 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

183.36

Dipole, Da:

1.82

IP(EA), eV:

 -8.82(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCC7)/C=C23

DOS

IR

Vibrations