Geometry & MOs

Info

ID:	95588
PubChem CID:	50010555
Reduced:	F3O3N4C26H31 (1)
Stoich.:	A3B3C4D26E31 (1)
Weight, g/mol:	546.16418
ΔH_f, kcal/mol:	-243.82
Dipole, Da:	7.65
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations