Geometry & MOs

Info

ID:	392768
PubChem CID:	135017900
Reduced:	NO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	522.02804
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	3.71
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-iodo-2-(9-iodo-2-bicyclo[6.1.1]dec-1(9)-enyl)bicyclo[6.1.1]dec-1(9)-ene

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=N[C@@H]2[C@@H](CC3=CC=CC=C23)O)/C(=O)OC

DOS

IR

Vibrations