Geometry & MOs

Info

ID:

448205

PubChem CID:

135289244

Reduced:

ON10H18C23 (1)

Stoich.:

AB10C18D23 (1)

Weight, g/mol:

492.218621

ΔHf, kcal/mol:

233.59

Dipole, Da:

7.78

IP(EA), eV:

 -8.57(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-(5-pyrimidin-5-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1C(CN1C2=NC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=COC=C7)N

DOS

IR

Vibrations