Geometry & MOs

Info

ID:	257064
PubChem CID:	103143494
Reduced:	ClNOF2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	4.37
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-(oxolan-3-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C(F)(F)Cl)O

DOS

IR

Vibrations