Geometry & MOs

Info

ID:	432616
PubChem CID:	135172752
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	269.235479
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	3.61
IP(EA), eV:	-9.2(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6S)-4-methoxy-6-methyl-5-[methyl(3-methylbut-1-en-2-yl)amino]octan-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]([C@@H]1CC2(CC2)CN1)OC)C(=O)C

DOS

IR

Vibrations