Geometry & MOs

Info

ID:	32488
PubChem CID:	7838896
Reduced:	F3N3O3H12C19 (1)
Stoich.:	A3B3C3D12E19 (1)
Weight, g/mol:	323.116245
ΔH_f, kcal/mol:	-180.31
Dipole, Da:	2.65
IP(EA), eV:	-9.61(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4R,9aS)-3-oxo-1,4,5,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-5-ium-4-yl]-N-(3-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)CC#N

DOS

IR

Vibrations