Geometry & MOs

Info

ID:	64732
PubChem CID:	29203921
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	6.03
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

DOS

IR

Vibrations