Geometry & MOs

Info

ID:

444154

PubChem CID:

135261498

Reduced:

SN6H20C24 (1)

Stoich.:

AB6C20D24 (1)

Weight, g/mol:

542.186652

ΔHf, kcal/mol:

184.42

Dipole, Da:

4.4

IP(EA), eV:

 -8.42(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=C(N6C)C)/C=C32

DOS

IR

Vibrations