Geometry & MOs

Info

ID:	257123
PubChem CID:	103143914
Reduced:	SN2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	238.090627
ΔH_f, kcal/mol:	77.75
Dipole, Da:	4.05
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-isoquinolin-8-ylaniline

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=C(SC=C3)CN

DOS

IR

Vibrations