Geometry & MOs

Info

ID:	256490
PubChem CID:	103139580
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	35.76
Dipole, Da:	3.87
IP(EA), eV:	-8.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methylsulfonylpropan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations