Geometry & MOs

Info

ID:	446022
PubChem CID:	135271620
Reduced:	N8H14C21 (1)
Stoich.:	A8B14C21 (1)
Weight, g/mol:	537.260071
ΔH_f, kcal/mol:	252.44
Dipole, Da:	6.43
IP(EA), eV:	-8.79(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3E)-3-[4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl] 2-pyrrolidin-1-ylacetate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6C=NN=C6)NN4)/N=C32

DOS

IR

Vibrations