Geometry & MOs

Info

ID:	337456
PubChem CID:	127257141
Reduced:	ON2C28H38 (1)
Stoich.:	AB2C28D38 (1)
Weight, g/mol:	440.225762
ΔH_f, kcal/mol:	22.43
Dipole, Da:	2.93
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-hydroxy-3-[2-(1-propanoylperoxypropoxy)ethoxy]propoxy]ethoxy]propyl propaneperoxoate

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCC1=CN=CC=C1

DOS

IR

Vibrations