Geometry & MOs

Info

ID:	256956
PubChem CID:	103142677
Reduced:	FNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	2.3
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-ylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)F)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations