Geometry & MOs

Info

ID:	442290
PubChem CID:	135251033
Reduced:	ClO2N3F6C20H24 (1)
Stoich.:	AB2C3D6E20F24 (1)
Weight, g/mol:	702.210112
ΔH_f, kcal/mol:	-395.26
Dipole, Da:	6.73
IP(EA), eV:	-8.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5-tribenzoyloxy-6-benzylperoxyoxan-2-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC1CCN(C1)C2=C(C=CC(=C2)Cl)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations