Geometry & MOs

Info

ID:	443894
PubChem CID:	135260314
Reduced:	OSN7H29C31 (1)
Stoich.:	ABC7D29E31 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	145.18
Dipole, Da:	12.02
IP(EA), eV:	-8.51(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations