Geometry & MOs

Info

ID:	14367
PubChem CID:	410299
Reduced:	N4O8C13H16 (1)
Stoich.:	A4B8C13D16 (1)
Weight, g/mol:	356.096813
ΔH_f, kcal/mol:	-64.2
Dipole, Da:	2.35
IP(EA), eV:	-8.97(-2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 2,4,6-trinitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations