Geometry & MOs

Info

ID:	420991
PubChem CID:	135115173
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	4.64
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-[4-(3-methylbutanoyl)piperazin-1-yl]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CNC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations