Geometry & MOs

Info

ID:	138658
PubChem CID:	52402917
Reduced:	NSO6H19C23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	375.264768
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	42.51
IP(EA), eV:	-7.71(-3.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methylpropyl)-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCO/C(=C/1\C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)[O-])/SC1=NC3=CC=C(C=C3)C)/[O-]

DOS

IR

Vibrations