Geometry & MOs

Info

ID:	319905
PubChem CID:	126657540
Reduced:	O2N7C20H21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	496.179379
ΔH_f, kcal/mol:	58.46
Dipole, Da:	5.77
IP(EA), eV:	-8.84(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(5-methylthiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C3C(=NC(=N2)C#N)N(C=N3)C)OCC(=O)N4CCNCC4

DOS

IR

Vibrations