Geometry & MOs

Info

ID:	6800
PubChem CID:	70045
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	4.35
Dipole, Da:	7.46
IP(EA), eV:	-9.74(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2,4-dinitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations