Geometry & MOs

Info

ID:	203435
PubChem CID:	79829990
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	23.65
Dipole, Da:	5.81
IP(EA), eV:	-8.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N)SCC2=NC=CN=C2

DOS

IR

Vibrations