Geometry & MOs

Info

ID:	187214
PubChem CID:	77545169
Reduced:	N2F3O3C26H43 (1)
Stoich.:	A2B3C3D26E43 (1)
Weight, g/mol:	490.178998
ΔH_f, kcal/mol:	-320.97
Dipole, Da:	6.16
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-1-oxopentan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNC)N1CCCC(C1)C(CCCCOC)(C2=CC(=CC=C2)OC(F)(F)F)O

DOS

IR

Vibrations