Geometry & MOs

Info

ID:	64734
PubChem CID:	29203923
Reduced:	OSF2N2H16C19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	3.46
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations