Geometry & MOs

Info

ID:	277889
PubChem CID:	103831627
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	3.17
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(2,2,6-trimethylmorpholin-4-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(CC1=CSC=C1)C2CC2)N

DOS

IR

Vibrations