Geometry & MOs

Info

ID:	50405
PubChem CID:	12012936
Reduced:	N6O10C15H16 (1)
Stoich.:	A6B10C15D16 (1)
Weight, g/mol:	304.019232
ΔH_f, kcal/mol:	-213.29
Dipole, Da:	4.52
IP(EA), eV:	-10.18(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dinitrophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)C(=NNC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=O)OCC

DOS

IR

Vibrations