Geometry & MOs

Info

ID:	49961
PubChem CID:	11538383
Reduced:	NO3C24H41 (1)
Stoich.:	AB3C24D41 (1)
Weight, g/mol:	391.109897
ΔH_f, kcal/mol:	-148.34
Dipole, Da:	3.58
IP(EA), eV:	-9.38(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NC[C@@H](C)O

DOS

IR

Vibrations