Geometry & MOs

Info

ID:	5872
PubChem CID:	13937
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-143.79
Dipole, Da:	4.26
IP(EA), eV:	-8.68(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol

Drug info:

PubChemData

Smile

COCCCNCC(C1COC2=CC=CC=C2O1)O

DOS

IR

Vibrations