Geometry & MOs

Info

ID:	257057
PubChem CID:	103143417
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	299.078013
ΔH_f, kcal/mol:	27.51
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations