Geometry & MOs

Info

ID:	136270
PubChem CID:	52010036
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	4.02
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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=C4)F

DOS

IR

Vibrations