Geometry & MOs

Info

ID:	398202
PubChem CID:	135032301
Reduced:	O3C11H15 (2)
Stoich.:	A3B11C15 (2)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-281.29
Dipole, Da:	4.9
IP(EA), eV:	-9.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1C(=O)C2CCC13C=CC(=O)[C@@](C3C2)(C)CCC(=O)OC(C)(C)C

DOS

IR

Vibrations