Geometry & MOs

Info

ID:	315980
PubChem CID:	126629543
Reduced:	ClN2F3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	327.301154
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	3.74
IP(EA), eV:	-10.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-[3-[(2-tert-butyl-3-methyl-4-oxopentanoyl)amino]propyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC/C(=C(\C(=C(/C(=N)C#N)\Cl)\F)/F)/F

DOS

IR

Vibrations