Geometry & MOs

Info

ID:

308778

PubChem CID:

126522666

Reduced:

O2N7H23C27 (1)

Stoich.:

A2B7C23D27 (1)

Weight, g/mol:

574.249252

ΔHf, kcal/mol:

139.13

Dipole, Da:

4.43

IP(EA), eV:

 -8.72(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3E)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=COC=C7)/NN4

DOS

IR

Vibrations