Geometry & MOs

Info

ID:	6172
PubChem CID:	67350
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	4.46
IP(EA), eV:	-10.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C

DOS

IR

Vibrations