Geometry & MOs

Info

ID:	176411
PubChem CID:	76045229
Reduced:	OSN3C6H11 (1)
Stoich.:	ABC3D6E11 (1)
Weight, g/mol:	561.20806
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	5.25
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

cycloocta-1,5-diene;ditert-butyl(methylphosphanylmethyl)phosphane;2-methylpropane;rhodium;tetrafluoroborate

Drug info:

PubChemData

Smile

CCC1CC(=O)N(C(=S)N1)N

DOS

IR

Vibrations