Geometry & MOs

Info

ID:

446201

PubChem CID:

135273083

Reduced:

FN6H25C29 (1)

Stoich.:

AB6C25D29 (1)

Weight, g/mol:

518.223038

ΔHf, kcal/mol:

134.62

Dipole, Da:

2.67

IP(EA), eV:

 -8.48(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)C)F)N=C2

DOS

IR

Vibrations