Geometry & MOs

Info

ID:	308757
PubChem CID:	126522453
Reduced:	N9C22H23 (1)
Stoich.:	A9B22C23 (1)
Weight, g/mol:	328.107259
ΔH_f, kcal/mol:	201.05
Dipole, Da:	6.29
IP(EA), eV:	-8.33(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations