Geometry & MOs

Info

ID:	217715
PubChem CID:	85088261
Reduced:	ON2F4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	392.147118
ΔH_f, kcal/mol:	-163.36
Dipole, Da:	3.87
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-diacetyloxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl)methyl acetate

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2(CCC(=C(F)F)F)O)N(N=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations