Geometry & MOs

Info

ID:	20697
PubChem CID:	585253
Reduced:	N3O4H7C9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	221.043656
ΔH_f, kcal/mol:	10.43
Dipole, Da:	5.32
IP(EA), eV:	-9.23(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-ylmethyl)-1,4,2,3-dioxadiazol-2-ium-5-ylidene]azanide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C[N+]3=NOC(=[N-])O3

DOS

IR

Vibrations