Geometry & MOs

Info

ID:	207532
PubChem CID:	80410184
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-98.16
Dipole, Da:	2.48
IP(EA), eV:	-9.52(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-5-yl-1-methoxy-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(COC)(C(=C)C)O

DOS

IR

Vibrations