Geometry & MOs

Info

ID:	6824
PubChem CID:	70176
Reduced:	N4O4H8C9 (1)
Stoich.:	A4B4C8D9 (1)
Weight, g/mol:	236.054555
ΔH_f, kcal/mol:	60.17
Dipole, Da:	8.15
IP(EA), eV:	-9.65(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitro-N-(prop-2-enylideneamino)aniline

Drug info:

PubChemData

Smile

C=CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations