Geometry & MOs

Info

ID:	432913
PubChem CID:	135173050
Reduced:	ClNOH18C24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	498.172814
ΔH_f, kcal/mol:	57.78
Dipole, Da:	2.17
IP(EA), eV:	-9.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-[7-(2-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CN=CC=C2)(C3=CC=CC=C3C4=CC=CC=C4Cl)O

DOS

IR

Vibrations