Geometry & MOs

Info

ID:	131124
PubChem CID:	51159611
Reduced:	FSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	4.42
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

DOS

IR

Vibrations