Geometry & MOs

Info

ID:	401589
PubChem CID:	135051760
Reduced:	SeN2O4H7C12 (2)
Stoich.:	AB2C4D7E12 (2)
Weight, g/mol:	371.03823
ΔH_f, kcal/mol:	81.87
Dipole, Da:	0.73
IP(EA), eV:	-9.64(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-iodo-5-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])[Se][Se]C3=C(C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations