Geometry & MOs

Info

ID:	256555
PubChem CID:	103139884
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	279.08079
ΔH_f, kcal/mol:	53.87
Dipole, Da:	3.69
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminoisoquinolin-8-yl)oxy-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations