Geometry & MOs

Info

ID:

308844

PubChem CID:

126522888

Reduced:

OSN7H23C27 (1)

Stoich.:

ABC7D23E27 (1)

Weight, g/mol:

528.274993

ΔHf, kcal/mol:

164.35

Dipole, Da:

7.03

IP(EA), eV:

 -8.54(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=CS6

DOS

IR

Vibrations