Geometry & MOs

Info

ID:	308971
PubChem CID:	126533194
Reduced:	FN6H23C28 (1)
Stoich.:	AB6C23D28 (1)
Weight, g/mol:	423.115381
ΔH_f, kcal/mol:	145.57
Dipole, Da:	1.85
IP(EA), eV:	-8.48(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC=CC=C6F)N=C2

DOS

IR

Vibrations