Geometry & MOs

Info

ID:	153741
PubChem CID:	56313052
Reduced:	BrO4N5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	453.03242
ΔH_f, kcal/mol:	2.19
Dipole, Da:	9.82
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations