Geometry & MOs

Info

ID:	48341
PubChem CID:	10539047
Reduced:	INOC7H16 (1)
Stoich.:	ABCD7E16 (1)
Weight, g/mol:	257.089937
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	13.84
IP(EA), eV:	-7.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-3-methyl-5-[3-(1,2,4-trioxolan-3-yl)cyclopentyl]-1,2,4-trioxolane-3-carbonitrile

Drug info:

PubChemData

Smile

C[N+]1(CCCC1)CCO.[I-]

DOS

IR

Vibrations