Geometry & MOs

Info

ID:	308753
PubChem CID:	126522449
Reduced:	ON9C30H33 (1)
Stoich.:	AB9C30D33 (1)
Weight, g/mol:	406.165443
ΔH_f, kcal/mol:	130.38
Dipole, Da:	6.04
IP(EA), eV:	-8.39(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCCCC7)/C=C23

DOS

IR

Vibrations