Geometry & MOs

Info

ID:	226843
PubChem CID:	87558598
Reduced:	O2N3C30H35 (1)
Stoich.:	A2B3C30D35 (1)
Weight, g/mol:	456.272318
ΔH_f, kcal/mol:	12.56
Dipole, Da:	5.47
IP(EA), eV:	-8.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis[2-(2-butoxyethoxy)ethoxy]methyl]-3H-1,2-benzodioxole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)C3=CC=CC=C3)/C=C/C(=O)C4=CC(=C(C=C4)OC)CN(C)C

DOS

IR

Vibrations