Geometry & MOs

Info

ID:	308802
PubChem CID:	126522739
Reduced:	FN6H17C25 (1)
Stoich.:	AB6C17D25 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	153.78
Dipole, Da:	4.72
IP(EA), eV:	-8.57(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)N)NN4)/C=C23

DOS

IR

Vibrations