Geometry & MOs

Info

ID:	447773
PubChem CID:	135285558
Reduced:	OF3N5H24C31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	408.195011
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	5.17
IP(EA), eV:	-8.36(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(5-cyclohexyloxypyridin-3-yl)-3-indol-2-ylidene-1,2-dihydroindazole

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CC(=CC(=C7)F)O

DOS

IR

Vibrations