Geometry & MOs

Info

ID:	291628
PubChem CID:	113452931
Reduced:	FO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-71.7
Dipole, Da:	3.17
IP(EA), eV:	-9.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-methylfuran-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(C/C(=N/O)/N)NC(=O)C1=CC(=CN=C1)F

DOS

IR

Vibrations