Geometry & MOs

Info

ID:	270097
PubChem CID:	103627919
Reduced:	BrF2N2O2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	414.94722
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	4.75
IP(EA), eV:	-8.69(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])NCC2=C(C=C(C=C2)F)Br)F

DOS

IR

Vibrations