Geometry & MOs

Info

ID:	256503
PubChem CID:	103139617
Reduced:	OCl2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	25.56
Dipole, Da:	4.49
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(oxolan-3-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)OC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations