Geometry & MOs

Info

ID:	62863
PubChem CID:	26737363
Reduced:	O6C19H30 (1)
Stoich.:	A6B19C30 (1)
Weight, g/mol:	326.305905
ΔH_f, kcal/mol:	-263.3
Dipole, Da:	2.63
IP(EA), eV:	-9.86(0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H](O[C@H]2[C@@H]1OC3(O2)CCCCC3)[C@@H]4COC5(O4)CCCCC5

DOS

IR

Vibrations