Geometry & MOs

Info

ID:	71344
PubChem CID:	48414661
Reduced:	FO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	361.119319
ΔH_f, kcal/mol:	0.35
Dipole, Da:	8.71
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations