Geometry & MOs

Info

ID:	221153
PubChem CID:	85257052
Reduced:	Cl2N3O3H5C10 (1)
Stoich.:	A2B3C3D5E10 (1)
Weight, g/mol:	288.157288
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	4.32
IP(EA), eV:	-9.74(-3.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-ene-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=CC2=NC(=O)C(=O)N=C21)Cl)Cl

DOS

IR

Vibrations