Geometry & MOs

Info

ID:	308850
PubChem CID:	126522922
Reduced:	ON7H23C28 (1)
Stoich.:	AB7C23D28 (1)
Weight, g/mol:	527.243359
ΔH_f, kcal/mol:	154.53
Dipole, Da:	5.76
IP(EA), eV:	-8.62(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)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