Geometry & MOs

Info

ID:

447842

PubChem CID:

135286255

Reduced:

FSN7H20C25 (1)

Stoich.:

ABC7D20E25 (1)

Weight, g/mol:

546.229186

ΔHf, kcal/mol:

170.02

Dipole, Da:

4.76

IP(EA), eV:

 -8.53(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=C(S6)F)N=C2

DOS

IR

Vibrations