Geometry & MOs

Info

ID:	171496
PubChem CID:	75384112
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-82.47
Dipole, Da:	2.07
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinolin-7-ol

Drug info:

PubChemData

Smile

CC(C)OCC(CNC(C)(C)C1=NC=CS1)O

DOS

IR

Vibrations