Geometry & MOs

Info

ID:	136303
PubChem CID:	52014918
Reduced:	FON2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	3.13
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C=C2)F)C(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations