Geometry & MOs

Info

ID:	416951
PubChem CID:	135090896
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	4.14
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-(4-propan-2-ylpiperazin-1-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCCC2=NC(=NO2)C3=CN=CC=C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations