Geometry & MOs

Info

ID:

444220

PubChem CID:

135261748

Reduced:

FON6C29H31 (1)

Stoich.:

ABC6D29E31 (1)

Weight, g/mol:

480.218621

ΔHf, kcal/mol:

68.64

Dipole, Da:

4.67

IP(EA), eV:

 -8.32(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6CCNCC6)/C=C32)F

DOS

IR

Vibrations