Geometry & MOs

Info

ID:	133836
PubChem CID:	51598230
Reduced:	FO3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	402.219295
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	4.91
IP(EA), eV:	-9.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[[[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-6-oxopiperidin-3-yl]amino]methyl]-2-hydroxyphenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)[C@@H]2CCCN2C(=O)CC3=C(ON=C3C)C)F

DOS

IR

Vibrations