Geometry & MOs

Info

ID:	54772
PubChem CID:	17389241
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	477.08346
ΔH_f, kcal/mol:	3.61
Dipole, Da:	5.11
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl-methyl-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethylsulfanyl]ethyl]azanium;iodide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCN2C(=O)C3=CN=CC=C3)C=C1

DOS

IR

Vibrations