Geometry & MOs

Info

ID:	305007
PubChem CID:	124766420
Reduced:	NO3C18H36 (1)
Stoich.:	AB3C18D36 (1)
Weight, g/mol:	314.269519
ΔH_f, kcal/mol:	-147.07
Dipole, Da:	3.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751725
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-(4-methylmorpholin-4-ium-4-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@H](C1)OC[C@@H](C[N+]2(CCOCC2)C)O)C(C)C

DOS

IR

Vibrations