Geometry & MOs

Info

ID:	139857
PubChem CID:	52609200
Reduced:	ON2F3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	333.254203
ΔH_f, kcal/mol:	-198.29
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754520
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

C[NH+](CCCNC(=O)CC1=CC2=C(CCCC2)C=C1)CC(F)(F)F

DOS

IR

Vibrations