Geometry & MOs

Info

ID:

444230

PubChem CID:

135261809

Reduced:

ON9H25C27 (1)

Stoich.:

AB9C25D27 (1)

Weight, g/mol:

491.223372

ΔHf, kcal/mol:

160.9

Dipole, Da:

2.89

IP(EA), eV:

 -8.48(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CN(C)C)/C=C32

DOS

IR

Vibrations