Geometry & MOs

Info

ID:	148926
PubChem CID:	53788596
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	212.068473
ΔH_f, kcal/mol:	-126.97
Dipole, Da:	10.91
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetyl-2-methyl-5-oxo-2H-furan-3-carboxylate

Drug info:

PubChemData

Smile

C1CNCCC1C2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations