Geometry & MOs

Info

ID:	25622
PubChem CID:	627514
Reduced:	N3O6H9C13 (1)
Stoich.:	A3B6C9D13 (1)
Weight, g/mol:	349.102233
ΔH_f, kcal/mol:	-51.35
Dipole, Da:	7.47
IP(EA), eV:	-9.83(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dinitro-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations