Geometry & MOs

Info

ID:

309754

PubChem CID:

126557127

Reduced:

ON7H25C28 (1)

Stoich.:

AB7C25D28 (1)

Weight, g/mol:

446.196743

ΔHf, kcal/mol:

170.77

Dipole, Da:

8.47

IP(EA), eV:

 -8.48(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=CC=NC6=N5)C7=COC=C7)N=C3

DOS

IR

Vibrations