Geometry & MOs

Info

ID:	230650
PubChem CID:	87571564
Reduced:	ClNO6C9H15 (1)
Stoich.:	ABC6D9E15 (1)
Weight, g/mol:	269.066615
ΔH_f, kcal/mol:	-149.56
Dipole, Da:	1.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772851
Charge, e:	0

Chem-info

IUPAC name:

[(7R)-1-chloro-7-nitrooxyoctyl] hydrogen carbonate

Drug info:

PubChemData

Smile

C[C@H](CCCCCC(OC(=O)[O-])Cl)O[N+](=O)[O-]

DOS

IR

Vibrations