Geometry & MOs

Info

ID:	218843
PubChem CID:	85090054
Reduced:	NO4H12C14 (2)
Stoich.:	AB4C12D14 (2)
Weight, g/mol:	516.199547
ΔH_f, kcal/mol:	-183.71
Dipole, Da:	7.33
IP(EA), eV:	-9.63(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(acetyloxymethyl)-5-methoxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-7-yl]methyl acetate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1C(=O)OC)C=CC2(C(=C(C=N2)C(=O)OC)C(=O)OC)C#N)CC3=CC=CC=C3

DOS

IR

Vibrations