Geometry & MOs

Info

ID:	398158
PubChem CID:	135032048
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-156.18
Dipole, Da:	5.7
IP(EA), eV:	-10.02(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)NC1CCCCC1

DOS

IR

Vibrations