Geometry & MOs

Info

ID:	204336
PubChem CID:	79949908
Reduced:	OSC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	266.11227
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	3.63
IP(EA), eV:	-8.54(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N,5-dimethyl-N-(2-methylsulfonylethyl)thiolan-3-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2(CCSC2)O

DOS

IR

Vibrations