Geometry & MOs

Info

ID:	427437
PubChem CID:	135158935
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	-104.95
Dipole, Da:	3.15
IP(EA), eV:	-9.75(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-[2-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-benzoxazol-6-yl]quinolizin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)C#C

DOS

IR

Vibrations