Geometry & MOs

Info

ID:	256995
PubChem CID:	103142974
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-18.73
Dipole, Da:	4.72
IP(EA), eV:	-8.85(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-1-methoxy-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(N=N2)N)C(C)C

DOS

IR

Vibrations