Geometry & MOs

Info

ID:	130981
PubChem CID:	51138619
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	386.136553
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	6.0
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-4-oxobutan-2-yl] acetate

Drug info:

PubChemData

Smile

CN(C1=C(C(=O)OC1)CC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3

DOS

IR

Vibrations