Geometry & MOs

Info

ID:	309011
PubChem CID:	126534460
Reduced:	SN6H14C22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	501.227709
ΔH_f, kcal/mol:	218.13
Dipole, Da:	3.57
IP(EA), eV:	-8.72(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(4-pyridin-3-ylindol-2-ylidene)-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CS6)N=C2

DOS

IR

Vibrations