Geometry & MOs

Info

ID:	182235
PubChem CID:	76861935
Reduced:	SN2O3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	4.22
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-(2-piperidin-1-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations