Geometry & MOs

Info

ID:

308827

PubChem CID:

126522834

Reduced:

ON7H25C29 (1)

Stoich.:

AB7C25D29 (1)

Weight, g/mol:

507.274659

ΔHf, kcal/mol:

147.84

Dipole, Da:

6.22

IP(EA), eV:

 -8.63(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3-dimethyl-N-[5-[(3E)-3-(4-piperidin-1-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations