Geometry & MOs

Info

ID:	138445
PubChem CID:	52368115
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	336.265102
ΔH_f, kcal/mol:	-170.73
Dipole, Da:	2.24
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methylpropyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1CCCCC1)OC2=CC=C(C=C2)NC(=O)OC

DOS

IR

Vibrations