Geometry & MOs

Info

ID:	410625
PubChem CID:	135083425
Reduced:	Cl2N8O8H10C17 (1)
Stoich.:	A2B8C8D10E17 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	109.41
Dipole, Da:	5.09
IP(EA), eV:	-10.78(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-phenylphenyl)nitramide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCCN(C2=C(C=C(C=C2Cl)C#N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)C#N

DOS

IR

Vibrations