Geometry & MOs

Info

ID:

448258

PubChem CID:

135289652

Reduced:

FON6H29C32 (1)

Stoich.:

ABC6D29E32 (1)

Weight, g/mol:

548.129842

ΔHf, kcal/mol:

89.01

Dipole, Da:

7.38

IP(EA), eV:

 -8.45(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[7-(5-chlorothiophen-2-yl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)O

DOS

IR

Vibrations