Geometry & MOs

Info

ID:	227061
PubChem CID:	87559996
Reduced:	FSN3O3C28H29 (1)
Stoich.:	ABC3D3E28F29 (1)
Weight, g/mol:	230.135325
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	8.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.090991
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[2-(5-methylphospholan-2-yl)ethyl]phospholane

Drug info:

PubChemData

Smile

C1CCN(C1)CC[N+](CC2=CC(=CS2)C3=CC4=C(C=C3)NC=C4)(CC(=O)O)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations