Geometry & MOs

Info

ID:

447848

PubChem CID:

135286335

Reduced:

O2N7H21C26 (1)

Stoich.:

A2B7C21D26 (1)

Weight, g/mol:

563.266968

ΔHf, kcal/mol:

121.88

Dipole, Da:

9.7

IP(EA), eV:

 -8.51(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2Z)-2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=COC=C6)N=C2

DOS

IR

Vibrations