Geometry & MOs

Info

ID:	47942
PubChem CID:	10535938
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	2.84
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-7-(1-hydroperoxy-2-methylprop-2-enyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)N)C(=O)CCl

DOS

IR

Vibrations