Geometry & MOs

Info

ID:	138940
PubChem CID:	52446560
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	360.265102
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	4.48
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(4-methylpiperidin-1-ium-1-yl)anilino]propan-1-one

Drug info:

PubChemData

Smile

CCOCCO[C@H](C)C(=O)NCC1=CC=C(O1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations