Geometry & MOs

Info

ID:	7461
PubChem CID:	72755
Reduced:	H5N5O8C12 (1)
Stoich.:	A5B5C8D12 (1)
Weight, g/mol:	347.013812
ΔH_f, kcal/mol:	37.88
Dipole, Da:	0.59
IP(EA), eV:	-10.82(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,6,8-tetranitro-9H-carbazole

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations