Geometry & MOs

Info

ID:	362472
PubChem CID:	127307945
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	396.10486
ΔH_f, kcal/mol:	-91.56
Dipole, Da:	3.71
IP(EA), eV:	-8.76(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2CC(=O)N(C2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations