Geometry & MOs

Info

ID:	54195
PubChem CID:	15047302
Reduced:	K2N3O4H5C7 (1)
Stoich.:	A2B3C4D5E7 (1)
Weight, g/mol:	338.101505
ΔH_f, kcal/mol:	-241.27
Dipole, Da:	10.57
IP(EA), eV:	-7.95(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[(1E,3E)-5-(4-nitrophenyl)iminopenta-1,3-dienyl]aniline

Drug info:

PubChemData

Smile

C1=CN=C(C=C1NC(=O)[O-])NC(=O)[O-].[K+].[K+]

DOS

IR

Vibrations