Geometry & MOs

Info

ID:	319926
PubChem CID:	126657607
Reduced:	FON8H23C27 (1)
Stoich.:	ABC8D23E27 (1)
Weight, g/mol:	399.180758
ΔH_f, kcal/mol:	111.82
Dipole, Da:	4.81
IP(EA), eV:	-8.84(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[3-(benzimidazol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC=CC=C6F)N=C2)O

DOS

IR

Vibrations