Geometry & MOs

Info

ID:	181266
PubChem CID:	76725205
Reduced:	ClFN2O3C27H34 (1)
Stoich.:	ABC2D3E27F34 (1)
Weight, g/mol:	545.24452
ΔH_f, kcal/mol:	-189.09
Dipole, Da:	3.94
IP(EA), eV:	-9.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[4-(dimethylcarbamoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)CCC3=CC=CC=C3F

DOS

IR

Vibrations