Geometry & MOs

Info

ID:	378105
PubChem CID:	134224176
Reduced:	ClOF3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	179.115758
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	3.82
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-1-hydroxypropan-2-yl)oxybutane-1,3-diol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C)OC2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations