Geometry & MOs

Info

ID:	398209
PubChem CID:	135032315
Reduced:	N2O3H24C27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	248.084872
ΔH_f, kcal/mol:	-16.82
Dipole, Da:	7.41
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(3-fluorophenyl)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)C3=C(C4=C(O3)C=CC(=C4)C(=O)OC)C#N

DOS

IR

Vibrations