Geometry & MOs

Info

ID:	256494
PubChem CID:	103139592
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-12.57
Dipole, Da:	3.36
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-1-isoquinolin-8-ylpropan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CN=C2C(=S)N

DOS

IR

Vibrations