Geometry & MOs

Info

ID:	378198
PubChem CID:	134224274
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	393.00145
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	6.27
IP(EA), eV:	-9.44(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-iodo-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C[C@@H]1C(C(C(C(NC(=O)N1)C)C)C)C(=C)C

DOS

IR

Vibrations