Geometry & MOs

Info

ID:	199302
PubChem CID:	79227953
Reduced:	NSC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	2.83
IP(EA), eV:	-8.3(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CC1CC2=CC=CC=C2S1)CNCC(C)C

DOS

IR

Vibrations