Geometry & MOs

Info

ID:	154498
PubChem CID:	56313950
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	483.04298
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	6.28
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations