Geometry & MOs

Info

ID:	398204
PubChem CID:	135032308
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	7.48
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-2-(cyclopentylamino)-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCNC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C#N

DOS

IR

Vibrations