Geometry & MOs

Info

ID:	256992
PubChem CID:	103142961
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	3.78
IP(EA), eV:	-9.02(2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-5-methylthiolan-3-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CNC2)C3CCCC3

DOS

IR

Vibrations