Geometry & MOs

Info

ID:	256974
PubChem CID:	103142843
Reduced:	OCl3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	0.91
IP(EA), eV:	-9.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-1-methoxybutan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CCl)(CCl)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations