Geometry & MOs

Info

ID:	230108
PubChem CID:	87570226
Reduced:	ClFNO4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	476.106709
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	3.39
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[2-(6-nitro-1,3-benzodioxol-5-yl)propyl] carbonate

Drug info:

PubChemData

Smile

CCO/N=C(/C1=CC=CC=C1COC2=CC=CC(=C2)/C=C(/F)\Cl)\C(=O)O

DOS

IR

Vibrations