Geometry & MOs

Info

ID:	64731
PubChem CID:	29203920
Reduced:	ClFO2N3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	4.66
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)Cl

DOS

IR

Vibrations