Geometry & MOs

Info

ID:	263991
PubChem CID:	103413462
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	270.128966
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	1.17
IP(EA), eV:	-8.42(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(2-methoxyethoxy)propylsulfanyl]phenyl]ethanol

Drug info:

PubChemData

Smile

COCCNCC1=CC=C(C=C1)SCCCOCCOC

DOS

IR

Vibrations