Geometry & MOs

Info

ID:	42794
PubChem CID:	8150010
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-110.11
Dipole, Da:	4.69
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)N[C@@H](C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

DOS

IR

Vibrations