Geometry & MOs

Info

ID:	257023
PubChem CID:	103143124
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	283.118399
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	6.23
IP(EA), eV:	-9.14(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,6-trifluoro-2-isoquinolin-8-ylhexan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)C2=C(C=C(C=C2)N)C

DOS

IR

Vibrations