Geometry & MOs

Info

ID:	352425
PubChem CID:	127283513
Reduced:	FO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-148.23
Dipole, Da:	3.64
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[1-(3-fluorophenyl)ethyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCN(CC2)C(C)C3=CC(=CC=C3)F

DOS

IR

Vibrations