Geometry & MOs

Info

ID:	221887
PubChem CID:	85292116
Reduced:	O2N7H11C16 (1)
Stoich.:	A2B7C11D16 (1)
Weight, g/mol:	329.089937
ΔH_f, kcal/mol:	162.16
Dipole, Da:	5.37
IP(EA), eV:	-10.22(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-[2-(4-methoxy-3-nitrophenyl)ethenyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(C(NC(=C(C#N)C#N)C2C#N)N)C#N)[N+](=O)[O-]

DOS

IR

Vibrations