Geometry & MOs

Info

ID:	256448
PubChem CID:	103139284
Reduced:	NOF3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-154.8
Dipole, Da:	4.66
IP(EA), eV:	-9.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-ethylthiomorpholin-4-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C(F)(F)F)O

DOS

IR

Vibrations