Geometry & MOs

Info

ID:	412842
PubChem CID:	135085771
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	350.85648
ΔH_f, kcal/mol:	15.84
Dipole, Da:	5.02
IP(EA), eV:	-10.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dibromoethenyl)-6-nitro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)C#N)[N+]#[C-]

DOS

IR

Vibrations