Geometry & MOs

Info

ID:

308991

PubChem CID:

126533627

Reduced:

FN9H20C26 (1)

Stoich.:

AB9C20D26 (1)

Weight, g/mol:

549.265237

ΔHf, kcal/mol:

195.0

Dipole, Da:

7.64

IP(EA), eV:

 -8.84(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2Z)-2-[5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1C(CN1C2=NC(=CN=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC(=CC=C7)F)N=C3)N

DOS

IR

Vibrations