Geometry & MOs

Info

ID:

447961

PubChem CID:

135287153

Reduced:

OSN8H22C26 (1)

Stoich.:

ABC8D22E26 (1)

Weight, g/mol:

506.229106

ΔHf, kcal/mol:

178.97

Dipole, Da:

10.63

IP(EA), eV:

 -8.74(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3-dimethyl-N-[5-[(3Z)-3-[7-(4-methylimidazol-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CSC=C6)/NN3

DOS

IR

Vibrations