Geometry & MOs

Info

ID:	256455
PubChem CID:	103139324
Reduced:	NOF3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	4.09
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-(2-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC(=C(C(=C3)F)F)F)O

DOS

IR

Vibrations