Geometry & MOs

Info

ID:	11378
PubChem CID:	114859
Reduced:	N6O9H10C14 (1)
Stoich.:	A6B9C10D14 (1)
Weight, g/mol:	406.050926
ΔH_f, kcal/mol:	62.92
Dipole, Da:	4.5
IP(EA), eV:	-10.71(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-3,5-dinitrophenyl)-(2-methyl-3,5-dinitrophenyl)imino-oxidoazanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=[N+](C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C)[O-]

DOS

IR

Vibrations