Geometry & MOs

Info

ID:	387134
PubChem CID:	134984117
Reduced:	N2O5C12H12 (1)
Stoich.:	A2B5C12D12 (1)
Weight, g/mol:	572.92268
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	5.01
IP(EA), eV:	-9.6(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;(1R,2S,6R,7S,8S,9R)-9-chloro-8-nitrosotricyclo[5.2.1.02,6]dec-3-ene;tetrachloroiridium

Drug info:

PubChemData

Smile

C1CCC(C1)(N=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations