Geometry & MOs

Info

ID:	26280
PubChem CID:	643518
Reduced:	N2O4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	4.19
IP(EA), eV:	-11.15(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-ditert-butyl-5-nitrobenzene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=NC=C1)[N+](=O)[O-]

DOS

IR

Vibrations