Geometry & MOs

Info

ID:	136269
PubChem CID:	52010035
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	5.27
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@]1(C(=O)NC2=CC=CC=C2O1)C(=O)N3CCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations