Geometry & MOs

Info

ID:	319925
PubChem CID:	126657606
Reduced:	FNC13H22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	494.197886
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	3.04
IP(EA), eV:	-8.29(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(2-fluorophenyl)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

CC(C)C1=CC=C(N1C(C)C)C(C)CF

DOS

IR

Vibrations