Geometry & MOs

Info

ID:	25935
PubChem CID:	634298
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	452.147118
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	12.92
IP(EA), eV:	-8.34(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-methylnaphthalen-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=C3C=CC=C7OC

DOS

IR

Vibrations