Geometry & MOs

Info

ID:

448090

PubChem CID:

135288392

Reduced:

FO2N9H28C29 (1)

Stoich.:

AB2C9D28E29 (1)

Weight, g/mol:

454.234191

ΔHf, kcal/mol:

98.43

Dipole, Da:

14.54

IP(EA), eV:

 -8.52(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)CO)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations