Geometry & MOs

Info

ID:	188466
PubChem CID:	77721758
Reduced:	ClNO4C23H36 (1)
Stoich.:	ABC4D23E36 (1)
Weight, g/mol:	408.242436
ΔH_f, kcal/mol:	-269.64
Dipole, Da:	5.45
IP(EA), eV:	-9.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(CC(=O)OC1CCC2(C3CCC4(C(C3CC(=O)C2C1)CCC4=O)C)C)N.Cl

DOS

IR

Vibrations