Geometry & MOs

Info

ID:	105937
PubChem CID:	50143379
Reduced:	FO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	504.234825
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	7.8
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)F)C)C

DOS

IR

Vibrations