Geometry & MOs

Info

ID:	149905
PubChem CID:	53789587
Reduced:	NOC16H23 (2)
Stoich.:	ABC16D23 (2)
Weight, g/mol:	422.121297
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	8.44
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-hydroperoxy-1-[1-hydroperoxy-1-(2-methoxycarbonylphenyl)ethyl]peroxyethyl]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations