Geometry & MOs

Info

ID:	268143
PubChem CID:	103598046
Reduced:	OSN3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	54.33
Dipole, Da:	2.4
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C=CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations