Geometry & MOs

Info

ID:

308967

PubChem CID:

126533070

Reduced:

FO2N7H28C32 (1)

Stoich.:

AB2C7D28E32 (1)

Weight, g/mol:

493.202637

ΔHf, kcal/mol:

67.53

Dipole, Da:

9.45

IP(EA), eV:

 -8.55(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(3E)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-N,N-dimethylmethanamine

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)C7CCCCC7)NN4)/C=C32)F

DOS

IR

Vibrations