Geometry & MOs

Info

ID:	140340
PubChem CID:	52684899
Reduced:	ON3C23H36 (1)
Stoich.:	AB3C23D36 (1)
Weight, g/mol:	381.254203
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	2.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759449
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C[NH+](CC3CCCCC3)C4CC4

DOS

IR

Vibrations