Geometry & MOs

Info

ID:	95589
PubChem CID:	50010558
Reduced:	BrFO3N4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-146.32
Dipole, Da:	6.89
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-phenylpiperidine-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)Br)F

DOS

IR

Vibrations