Geometry & MOs

Info

ID:	230402
PubChem CID:	87570800
Reduced:	ClFON7H13C15 (1)
Stoich.:	ABCD7E13F15 (1)
Weight, g/mol:	508.14818
ΔH_f, kcal/mol:	31.22
Dipole, Da:	5.13
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-[[2-nitro-2-[(1E,3E)-penta-1,3-dienyl]-1,3-benzodioxol-5-yl]methoxymethyl]-2-[(1E,3E)-penta-1,3-dienyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4=C(C(=NC=C4)Cl)F)N

DOS

IR

Vibrations