Geometry & MOs

Info

ID:	105936
PubChem CID:	50143378
Reduced:	BrFO3N4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	468.253669
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	6.88
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations