Geometry & MOs

Info

ID:	130106
PubChem CID:	51074944
Reduced:	S3N4H10C13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	138.03
Dipole, Da:	5.92
IP(EA), eV:	-8.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=NN=C(S1)SCC2=CN3C=CC=CC3=C2C#N

DOS

IR

Vibrations