Geometry & MOs

Info

ID:	137586
PubChem CID:	52230626
Reduced:	N3O4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	337.200156
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754722
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)CC2=C(ON=C2C)C

DOS

IR

Vibrations