Geometry & MOs

Info

ID:

309054

PubChem CID:

126535618

Reduced:

FO2N7H26C30 (1)

Stoich.:

AB2C7D26E30 (1)

Weight, g/mol:

508.224769

ΔHf, kcal/mol:

89.34

Dipole, Da:

7.37

IP(EA), eV:

 -8.57(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2Z)-2-[5-(5-aminopyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCCCC7)NN4)/N=C23)F

DOS

IR

Vibrations