Geometry & MOs

Info

ID:	51850
PubChem CID:	12014604
Reduced:	O5N6H14C21 (1)
Stoich.:	A5B6C14D21 (1)
Weight, g/mol:	703.17196
ΔH_f, kcal/mol:	114.62
Dipole, Da:	4.77
IP(EA), eV:	-9.22(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\2/C(=O)N=C3C=CC=CC3=N2)/NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations