Geometry & MOs

Info

ID:	312560
PubChem CID:	126606520
Reduced:	O2F3N3H12C14 (1)
Stoich.:	A2B3C3D12E14 (1)
Weight, g/mol:	191.115758
ΔH_f, kcal/mol:	-159.07
Dipole, Da:	4.28
IP(EA), eV:	-9.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC(F)(F)F)C(=CC2)OC

DOS

IR

Vibrations