Geometry & MOs

Info

ID:	446977
PubChem CID:	135279247
Reduced:	NC10H20 (2)
Stoich.:	AB10C20 (2)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	1.01
IP(EA), eV:	-8.32(3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[5-[2-(methylsulfanylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(C)C1(C(C2(CNC(C2C)(C1(C)NC)C)C)(C)CC)C

DOS

IR

Vibrations