Geometry & MOs

Info

ID:

448118

PubChem CID:

135288613

Reduced:

ON4H13C15 (2)

Stoich.:

AB4C13D15 (2)

Weight, g/mol:

508.17715

ΔHf, kcal/mol:

135.12

Dipole, Da:

11.54

IP(EA), eV:

 -8.55(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-hydroxyphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCC7)NN4)/N=C32

DOS

IR

Vibrations