Geometry & MOs

Info

ID:	136267
PubChem CID:	52010012
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-116.7
Dipole, Da:	6.06
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(2-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)NCCC3=CC=CC=C3OC

DOS

IR

Vibrations