Geometry & MOs

Info

ID:	95586
PubChem CID:	50010553
Reduced:	BrO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	508.26857
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	8.0
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations