Geometry & MOs

Info

ID:	269904
PubChem CID:	103619617
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	2.3
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-2-(3-cyclopentylpropylamino)ethanol

Drug info:

PubChemData

Smile

C1CCC(C1)CCCNCC(C2=CC=CC=C2Cl)O

DOS

IR

Vibrations