Geometry & MOs

Info

ID:	32484
PubChem CID:	7838459
Reduced:	N2F3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	353.12681
ΔH_f, kcal/mol:	-256.83
Dipole, Da:	3.77
IP(EA), eV:	-10.48(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations