Geometry & MOs

Info

ID:

308724

PubChem CID:

126522420

Reduced:

ON9H23C26 (1)

Stoich.:

AB9C23D26 (1)

Weight, g/mol:

591.287035

ΔHf, kcal/mol:

166.89

Dipole, Da:

8.59

IP(EA), eV:

 -8.88(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2E)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)N6C=C(N=C6)C)/NN3

DOS

IR

Vibrations