Geometry & MOs

Info

ID:	199225
PubChem CID:	79219754
Reduced:	SN2O6C12H22 (1)
Stoich.:	AB2C6D12E22 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-264.22
Dipole, Da:	5.06
IP(EA), eV:	-9.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CN(CCC(=O)OC)S(=O)(=O)N1CCC2(CC1)OCCO2

DOS

IR

Vibrations