Geometry & MOs

Info

ID:

447945

PubChem CID:

135287059

Reduced:

F2N9H23C27 (1)

Stoich.:

A2B9C23D27 (1)

Weight, g/mol:

469.148493

ΔHf, kcal/mol:

110.13

Dipole, Da:

5.65

IP(EA), eV:

 -8.82(-2.38)

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]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCC(C7)(F)F)/C=C23

DOS

IR

Vibrations