Geometry & MOs

Info

ID:

448105

PubChem CID:

135288524

Reduced:

O2N9H25C28 (1)

Stoich.:

A2B9C25D28 (1)

Weight, g/mol:

436.187241

ΔHf, kcal/mol:

140.64

Dipole, Da:

4.69

IP(EA), eV:

 -8.68(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-5-[(3Z)-3-[4-(4-methylimidazol-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

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=COC=C7

DOS

IR

Vibrations