Geometry & MOs

Info

ID:	380743
PubChem CID:	134971274
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	271.051444
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	3.39
IP(EA), eV:	-9.92(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(methylsulfanylmethoxy)ethyl]-6-nitro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)NC1(CCCCC1)C#C

DOS

IR

Vibrations