Geometry & MOs

Info

ID:	169140
PubChem CID:	75067886
Reduced:	N2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	426.151034
ΔH_f, kcal/mol:	110.03
Dipole, Da:	3.81
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-aminocyclopropyl)-4-(2-fluorophenyl)cyclohexyl]oxy-7-chloro-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CC(CNC1)C(C2=CC3=CC=CC=C3C=C2)N4C5=CC=CC=C5N=N4

DOS

IR

Vibrations