Geometry & MOs

Info

ID:	249624
PubChem CID:	103090934
Reduced:	ON2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	8.33
Dipole, Da:	2.36
IP(EA), eV:	-10.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[(Z)-2-methyl-3-oxobut-1-enyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\C1=NC=NC=C1)/C(=O)C

DOS

IR

Vibrations