Geometry & MOs

Info

ID:	341075
PubChem CID:	127263510
Reduced:	O2F3N3C10H12 (1)
Stoich.:	A2B3C3D10E12 (1)
Weight, g/mol:	418.246772
ΔH_f, kcal/mol:	-207.97
Dipole, Da:	7.44
IP(EA), eV:	-10.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzyl-4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN2C1=NN=C2C(F)(F)F

DOS

IR

Vibrations