Geometry & MOs

Info

ID:	149681
PubChem CID:	53789355
Reduced:	NO3C6H7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	342.204239
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	6.47
IP(EA), eV:	-9.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-4-(2-methyl-4-prop-2-enoyloxypentan-2-yl)peroxypentan-2-yl] prop-2-enoate

Drug info:

PubChemData

Smile

C1C=CNC(=O)C1C(=O)O

DOS

IR

Vibrations