Geometry & MOs

Info

ID:

308843

PubChem CID:

126522886

Reduced:

OSN6H24C28 (1)

Stoich.:

ABC6D24E28 (1)

Weight, g/mol:

493.16848

ΔHf, kcal/mol:

144.01

Dipole, Da:

7.51

IP(EA), eV:

 -8.56(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3E)-3-(4-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations