Geometry & MOs

Info

ID:

309790

PubChem CID:

126558941

Reduced:

FN7H24C30 (1)

Stoich.:

AB7C24D30 (1)

Weight, g/mol:

464.243693

ΔHf, kcal/mol:

187.33

Dipole, Da:

4.24

IP(EA), eV:

 -8.46(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-but-1-en-2-yl-5-[(3E)-3-(4-piperidin-1-ylbenzimidazol-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C=C(C1CCC1)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\N=C6C=CC=C(C6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations