Geometry & MOs

Info

ID:	256955
PubChem CID:	103142670
Reduced:	BrOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	267.105942
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	3.0
IP(EA), eV:	-8.85(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=C(C=C2)C)CBr

DOS

IR

Vibrations