Geometry & MOs

Info

ID:	24879
PubChem CID:	614200
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	3.34
IP(EA), eV:	-9.71(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2,6-dinitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations