Geometry & MOs

Info

ID:	47751
PubChem CID:	10535082
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	4.27
IP(EA), eV:	-9.61(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-ethyl-4-methylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CNC1=O

DOS

IR

Vibrations