Geometry & MOs

Info

ID:	309067
PubChem CID:	126535960
Reduced:	FON9H26C28 (1)
Stoich.:	ABC9D26E28 (1)
Weight, g/mol:	406.129057
ΔH_f, kcal/mol:	148.53
Dipole, Da:	8.4
IP(EA), eV:	-8.31(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-(7-pyridin-4-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC)NN4)/N=C23)F

DOS

IR

Vibrations