Geometry & MOs

Info

ID:	158825
PubChem CID:	56479464
Reduced:	NO7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	440.03717
ΔH_f, kcal/mol:	-218.84
Dipole, Da:	6.02
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC2=C3C(=CC=C2)OCCO3)OCC(=O)OC

DOS

IR

Vibrations