Geometry & MOs

Info

ID:	28078
PubChem CID:	825394
Reduced:	SN4O4H10C11 (1)
Stoich.:	AB4C4D10E11 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	10.79
IP(EA), eV:	-9.71(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl) furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations