Geometry & MOs

Info

ID:	84315
PubChem CID:	49865691
Reduced:	O5C18H18 (1)
Stoich.:	A5B18C18 (1)
Weight, g/mol:	510.371221
ΔH_f, kcal/mol:	-176.67
Dipole, Da:	6.9
IP(EA), eV:	-9.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,2S)-2-[11-(2-adamantylidene)undecoxy-hydroxyphosphoryl]oxycyclopentyl]-trimethylazanium

Drug info:

PubChemData

Smile

CO[C@@H]1CC2=C([C@@H]3[C@H]1OC(=O)C3)C(=O)CC(O2)C4=CC=CC=C4

DOS

IR

Vibrations