Geometry & MOs

Info

ID:	199249
PubChem CID:	79222528
Reduced:	SO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	277.150036
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	3.4
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-2-ylmethoxymethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1O)C=CC=C2OCCSC3=CC=CC=C3

DOS

IR

Vibrations