Geometry & MOs

Info

ID:	23762
PubChem CID:	605983
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-167.11
Dipole, Da:	3.14
IP(EA), eV:	-10.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-(2-methylprop-1-enyl)-5-oxofuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC1=C(C(OC1=O)(C)C)C(=O)O)C

DOS

IR

Vibrations