Geometry & MOs

Info

ID:	377900
PubChem CID:	134223966
Reduced:	BrNC26H34 (1)
Stoich.:	ABC26D34 (1)
Weight, g/mol:	485.93414
ΔH_f, kcal/mol:	2.36
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(4-iodophenyl)bicyclo[2.2.0]hexane

Drug info:

PubChemData

Smile

CCCCCCNC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations