Geometry & MOs

Info

ID:	448165
PubChem CID:	135288912
Reduced:	OF3N3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	393.122575
ΔH_f, kcal/mol:	-186.71
Dipole, Da:	6.64
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)N)N=C1CC3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations