Geometry & MOs

Info

ID:	221181
PubChem CID:	85257160
Reduced:	ClIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	7.68
Dipole, Da:	5.21
IP(EA), eV:	-9.84(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-[3-(1,2,4-trioxolan-3-yl)propyl]-1,2,4-trioxolane-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)Cl)I

DOS

IR

Vibrations