Geometry & MOs

Info

ID:	230457
PubChem CID:	87570947
Reduced:	ClO2C3H7 (1)
Stoich.:	AB2C3D7 (1)
Weight, g/mol:	458.251583
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	4.12
IP(EA), eV:	-10.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(Z)-2,4,4-trimethylhex-2-enoyl]peroxyethoxycarbonyloxy]ethyl (Z)-2,4,4-trimethylhex-2-eneperoxoate

Drug info:

PubChemData

Smile

C(CO)C=O.Cl

DOS

IR

Vibrations