Geometry & MOs

Info

ID:	150037
PubChem CID:	53789722
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	2.99
IP(EA), eV:	-9.61(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-3-ylmethyl 5,5-dimethyl-4-oxofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H]1CCC(=O)C[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations