Geometry & MOs

Info

ID:

308772

PubChem CID:

126522468

Reduced:

FON7H24C29 (1)

Stoich.:

ABC7D24E29 (1)

Weight, g/mol:

442.191738

ΔHf, kcal/mol:

123.57

Dipole, Da:

3.25

IP(EA), eV:

 -8.76(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-piperidin-4-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations