Geometry & MOs

Info

ID:	136604
PubChem CID:	52072522
Reduced:	SN3O4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	5.39
IP(EA), eV:	-8.35(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)N4CCSCC4)OC

DOS

IR

Vibrations