Geometry & MOs

Info

ID:	4656
PubChem CID:	11817
Reduced:	N3H5C7O7 (1)
Stoich.:	A3B5C7D7 (1)
Weight, g/mol:	243.01275
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	3.64
IP(EA), eV:	-11.17(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1,3,5-trinitrobenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations