Geometry & MOs

Info

ID:	7104
PubChem CID:	71224
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-134.8
Dipole, Da:	2.83
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC2=C(C=C1)OCO2)N3CCOCC3)O

DOS

IR

Vibrations