Geometry & MOs

Info

ID:	308741
PubChem CID:	126522437
Reduced:	ON7H19C22 (1)
Stoich.:	AB7C19D22 (1)
Weight, g/mol:	398.196743
ΔH_f, kcal/mol:	136.27
Dipole, Da:	9.3
IP(EA), eV:	-8.74(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-piperidin-4-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C=CC=NC5=N4)/NN3

DOS

IR

Vibrations