Geometry & MOs

Info

ID:	399982
PubChem CID:	135044338
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	242.069142
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	4.92
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(aziridin-1-yl)-3-cyano-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C(=O)CCC2=CC=CC=C2)O

DOS

IR

Vibrations