Geometry & MOs

Info

ID:	268111
PubChem CID:	103597915
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	5.61
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)N2CCCN(CC2)C3=CC=CC=C3C#N)F

DOS

IR

Vibrations