Geometry & MOs

Info

ID:	164788
PubChem CID:	74453331
Reduced:	FN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	247.148024
ΔH_f, kcal/mol:	-121.55
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754848
Charge, e:	1

Chem-info

IUPAC name:

(3-hydroxy-1-methyl-2-oxopiperidin-3-yl)methyl-(3-methylsulfanylpropyl)azanium

Drug info:

PubChemData

Smile

CC(C)C1CC[NH+](CC1)CC2(CCCN(C2=O)CC3=CC=CC=C3F)O

DOS

IR

Vibrations