Geometry & MOs

Info

ID:

448189

PubChem CID:

135289108

Reduced:

FON6H27C31 (1)

Stoich.:

ABC6D27E31 (1)

Weight, g/mol:

534.217952

ΔHf, kcal/mol:

107.42

Dipole, Da:

6.8

IP(EA), eV:

 -8.49(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC(=CC=C7)F

DOS

IR

Vibrations