Geometry & MOs

Info

ID:	175793
PubChem CID:	75948441
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	3.02
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN(C)C(=O)C2CCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations