Geometry & MOs

Info

ID:	327450
PubChem CID:	126689938
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	2.95
IP(EA), eV:	-8.28(2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-6-(prop-2-ynoxymethyl)-5,6-dihydro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CCC1CC[C@H]2CN(CC2N1C)C

DOS

IR

Vibrations