Geometry & MOs

Info

ID:	200513
PubChem CID:	79403265
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	270.107836
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	2.4
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-phenylethoxymethyl)-2,3-dihydro-1-benzothiophene

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CCC2=CC=CS2)O)O

DOS

IR

Vibrations