Geometry & MOs

Info

ID:	212
PubChem CID:	2319
Reduced:	F3N3O4C13H16 (1)
Stoich.:	A3B3C4D13E16 (1)
Weight, g/mol:	335.10929
ΔH_f, kcal/mol:	-161.87
Dipole, Da:	1.99
IP(EA), eV:	-9.92(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations