Geometry & MOs

Info

ID:	43857
PubChem CID:	10321892
Reduced:	Br2N2O5H10C15 (1)
Stoich.:	A2B2C5D10E15 (1)
Weight, g/mol:	458.047419
ΔH_f, kcal/mol:	6.69
Dipole, Da:	7.12
IP(EA), eV:	-10.73(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,7-trinitro-N-[4-(trifluoromethyl)phenyl]fluoren-9-imine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations