Geometry & MOs

Info

ID:	55786
PubChem CID:	17396514
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	4.85
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(furan-2-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2O

DOS

IR

Vibrations