Geometry & MOs

Info

ID:	163173
PubChem CID:	57653863
Reduced:	F3H18C32 (2)
Stoich.:	A3B18C32 (2)
Weight, g/mol:	226.087265
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	0.29
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-trihydroxysilylbutoxy)propane-1,2-diol

Drug info:

Smile

C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=CC(=C4)C5=C(C=C(C=C5C6=CC=C(C=C6)F)C7=CC=C(C=C7)F)C8=CC=C(C=C8)F)C9=C(C=C(C=C9C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)C1=CC=C(C=C1)F

DOS

IR

Vibrations