Geometry & MOs

Info

ID:	8681
PubChem CID:	80194
Reduced:	N2O5C11H14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	254.090272
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	6.85
IP(EA), eV:	-10.23(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-methoxy-3,5-dinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations