Geometry & MOs

Info

ID:

305006

PubChem CID:

124766419

Reduced:

NO3C7H7 (4)

Stoich.:

AB3C7D7 (4)

Weight, g/mol:

314.269519

ΔHf, kcal/mol:

-355.8

Dipole, Da:

7.98

IP(EA), eV:

 -9.24(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)N2C3=CC=CC=C3/C(=N\NC4=CC=C(C=C4)[N+](=O)[O-])/C2=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations