Geometry & MOs

Info

ID:	403301
PubChem CID:	135059616
Reduced:	NPO5C10H20 (1)
Stoich.:	ABC5D10E20 (1)
Weight, g/mol:	289.96262
ΔH_f, kcal/mol:	-255.54
Dipole, Da:	3.5
IP(EA), eV:	-10.07(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(iodomethyl)-6-methyl-2,3-dihydro-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC1CCC(=NO1)P(=O)(OCC)OCC

DOS

IR

Vibrations