Geometry & MOs

Info

ID:	402999
PubChem CID:	135058230
Reduced:	ClFNO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	325.86034
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	4.1
IP(EA), eV:	-9.79(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-fluoro-5-iodocubane

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=C(C=C1)F)OC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations