Geometry & MOs

Info

ID:	215936
PubChem CID:	85085464
Reduced:	ClNO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-24.9
Dipole, Da:	3.11
IP(EA), eV:	-9.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylidene]oxolan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=CC(=O)ON

DOS

IR

Vibrations