Geometry & MOs

Info

ID:

442437

PubChem CID:

135252045

Reduced:

ON7H25C32 (1)

Stoich.:

AB7C25D32 (1)

Weight, g/mol:

523.212058

ΔHf, kcal/mol:

183.0

Dipole, Da:

2.0

IP(EA), eV:

 -8.49(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-1-[[5-[(3Z)-3-(4-pyridin-4-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=CC=NC6=N5)C7=CN=CC=C7)O

DOS

IR

Vibrations