Geometry & MOs

Info

ID:	229192
PubChem CID:	87567154
Reduced:	NCl2O3H11C18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	499.83084
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	2.89
IP(EA), eV:	-8.89(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diiodotitanium;2-hydroxypropanoic acid;hydrate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C2=O)C4=C(C=CC(=C4)Cl)N=C3Cl)OC

DOS

IR

Vibrations