Geometry & MOs

Info

ID:	229207
PubChem CID:	87567181
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	271.86976
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	2.88
IP(EA), eV:	-9.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1lambda3-iodacyclohexa-1,5-diene

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)ONCC2=CC=CC=C2)(F)F

DOS

IR

Vibrations