Geometry & MOs

Info

ID:	199313
PubChem CID:	79229177
Reduced:	OSC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	2.54
IP(EA), eV:	-8.4(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-dihydro-1-benzofuran-3-ylmethyl(2-methylpropyl)amino]propanethioamide

Drug info:

PubChemData

Smile

C1CCC(C(CC1)O)CCSC2=CC=CC=C2

DOS

IR

Vibrations