Geometry & MOs

Info

ID:	136605
PubChem CID:	52072588
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	474.215959
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	5.49
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3R)-1-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCN(CC1)CC2=C(OC(=N2)C3=CC=C(C=C3)OC(C)C)C

DOS

IR

Vibrations