Geometry & MOs

Info

ID:	95585
PubChem CID:	50010551
Reduced:	F2O3N4C26H32 (1)
Stoich.:	A2B3C4D26E32 (1)
Weight, g/mol:	528.1736
ΔH_f, kcal/mol:	-197.03
Dipole, Da:	8.98
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-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=CC=C3F)F

DOS

IR

Vibrations