Geometry & MOs

Info

ID:	25469
PubChem CID:	625398
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	285.9967
ΔH_f, kcal/mol:	57.44
Dipole, Da:	6.65
IP(EA), eV:	-8.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=CC=C(C=C2)SC

DOS

IR

Vibrations