Geometry & MOs

Info

ID:

308847

PubChem CID:

126522900

Reduced:

N7H23C27 (1)

Stoich.:

A7B23C27 (1)

Weight, g/mol:

492.207388

ΔHf, kcal/mol:

197.3

Dipole, Da:

4.05

IP(EA), eV:

 -8.42(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations