Geometry & MOs

Info

ID:	317930
PubChem CID:	126647803
Reduced:	ON11C28H37 (1)
Stoich.:	AB11C28D37 (1)
Weight, g/mol:	243.99603
ΔH_f, kcal/mol:	114.79
Dipole, Da:	1.26
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodopropan-2-yloxy)propan-1-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NC(=N4)N/C(=C/N(CC5CNCCO5)N=C)/C

DOS

IR

Vibrations