Geometry & MOs

Info

ID:	140343
PubChem CID:	52685378
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	481.245095
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	8.42
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)CCC3=C(NC(=O)C(=C3C)C#N)C)C

DOS

IR

Vibrations