Geometry & MOs

Info

ID:	21806
PubChem CID:	591080
Reduced:	N2O3H5C7 (2)
Stoich.:	A2B3C5D7 (2)
Weight, g/mol:	330.060034
ΔH_f, kcal/mol:	6.22
Dipole, Da:	8.5
IP(EA), eV:	-9.15(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethylideneamino)-2,4-dinitroaniline

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations