Geometry & MOs

Info

ID:	415656
PubChem CID:	135088655
Reduced:	OSN3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	3.94
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-(2-piperidin-1-ylbutylamino)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCCNC(=O)C2=CC=C(C=C2)CN3CCCCCC3

DOS

IR

Vibrations