Geometry & MOs

Info

ID:

447816

PubChem CID:

135285974

Reduced:

OSN7H19C29 (1)

Stoich.:

ABC7D19E29 (1)

Weight, g/mol:

479.218206

ΔHf, kcal/mol:

206.63

Dipole, Da:

9.65

IP(EA), eV:

 -8.52(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CSC=C7)N=C3

DOS

IR

Vibrations