Geometry & MOs

Info

ID:

308975

PubChem CID:

126533344

Reduced:

SN6H18C22 (1)

Stoich.:

AB6C18D22 (1)

Weight, g/mol:

481.16848

ΔHf, kcal/mol:

191.71

Dipole, Da:

5.86

IP(EA), eV:

 -8.74(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-[5-[(3E)-3-(4-thiophen-3-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]oxyethanamine

Drug info:

PubChemData

Smile

C1CNCC=C1C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CS6)N=C2

DOS

IR

Vibrations