Geometry & MOs

Info

ID:	57143
PubChem CID:	22395391
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	3.16
IP(EA), eV:	-10.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenylcyclohexane-1-carboperoxoic acid

Drug info:

PubChemData

Smile

C=CC1CCCC(C1)C(=O)OO

DOS

IR

Vibrations