Geometry & MOs

Info

ID:

448171

PubChem CID:

135288976

Reduced:

ClON3H10C12 (2)

Stoich.:

ABC3D10E12 (2)

Weight, g/mol:

492.173231

ΔHf, kcal/mol:

59.29

Dipole, Da:

3.43

IP(EA), eV:

 -9.69(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C(CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations