Geometry & MOs

Info

ID:	196935
PubChem CID:	78898855
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	1.98
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NCCCO)SC1=CC=C(C=C1)Br

DOS

IR

Vibrations