Geometry & MOs

Info

ID:	230176
PubChem CID:	87570359
Reduced:	O5C9H16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	228.082016
ΔH_f, kcal/mol:	-161.18
Dipole, Da:	3.87
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(2-oxothiolan-1-ylidene)methyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)OO/C=C/COC(=O)O

DOS

IR

Vibrations