Geometry & MOs

Info

ID:	12808
PubChem CID:	145806
Reduced:	N4O5H12C14 (1)
Stoich.:	A4B5C12D14 (1)
Weight, g/mol:	316.080769
ΔH_f, kcal/mol:	60.42
Dipole, Da:	9.39
IP(EA), eV:	-9.8(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-3-nitrophenyl)-(4-methyl-3-nitrophenyl)imino-oxidoazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations