Geometry & MOs

Info

ID:	257059
PubChem CID:	103143445
Reduced:	NOSH17C18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	295.103085
ΔH_f, kcal/mol:	18.54
Dipole, Da:	4.24
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-(3-methylphenyl)sulfanylethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations